From eca79d427e1aaed102d25793f85da0dd3cdf9dcf Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 14:21:17 +0000 Subject: [PATCH 01/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12390 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/{GPU => FERMI}/README | 0 bench/{GPU => FERMI}/in.eam.cpu | 0 bench/{GPU => FERMI}/in.eam.cuda | 0 bench/{GPU => FERMI}/in.eam.gpu | 0 bench/{GPU => FERMI}/in.lj.cpu | 0 bench/{GPU => FERMI}/in.lj.cuda | 0 bench/{GPU => FERMI}/in.lj.gpu | 0 bench/{GPU => FERMI}/in.rhodo.cpu | 0 bench/{GPU => FERMI}/in.rhodo.cuda | 0 bench/{GPU => FERMI}/in.rhodo.gpu | 0 10 files changed, 0 insertions(+), 0 deletions(-) rename bench/{GPU => FERMI}/README (100%) rename bench/{GPU => FERMI}/in.eam.cpu (100%) rename bench/{GPU => FERMI}/in.eam.cuda (100%) rename bench/{GPU => FERMI}/in.eam.gpu (100%) rename bench/{GPU => FERMI}/in.lj.cpu (100%) rename bench/{GPU => FERMI}/in.lj.cuda (100%) rename bench/{GPU => FERMI}/in.lj.gpu (100%) rename bench/{GPU => FERMI}/in.rhodo.cpu (100%) rename bench/{GPU => FERMI}/in.rhodo.cuda (100%) rename bench/{GPU => FERMI}/in.rhodo.gpu (100%) diff --git a/bench/GPU/README b/bench/FERMI/README similarity index 100% rename from bench/GPU/README rename to bench/FERMI/README diff --git a/bench/GPU/in.eam.cpu b/bench/FERMI/in.eam.cpu similarity index 100% rename from bench/GPU/in.eam.cpu rename to bench/FERMI/in.eam.cpu diff --git a/bench/GPU/in.eam.cuda b/bench/FERMI/in.eam.cuda similarity index 100% rename from bench/GPU/in.eam.cuda rename to bench/FERMI/in.eam.cuda diff --git a/bench/GPU/in.eam.gpu b/bench/FERMI/in.eam.gpu similarity index 100% rename from bench/GPU/in.eam.gpu rename to bench/FERMI/in.eam.gpu diff --git a/bench/GPU/in.lj.cpu b/bench/FERMI/in.lj.cpu similarity index 100% rename from bench/GPU/in.lj.cpu rename to bench/FERMI/in.lj.cpu diff --git a/bench/GPU/in.lj.cuda b/bench/FERMI/in.lj.cuda similarity index 100% rename from bench/GPU/in.lj.cuda rename to bench/FERMI/in.lj.cuda diff --git a/bench/GPU/in.lj.gpu b/bench/FERMI/in.lj.gpu similarity index 100% rename from bench/GPU/in.lj.gpu rename to bench/FERMI/in.lj.gpu diff --git a/bench/GPU/in.rhodo.cpu b/bench/FERMI/in.rhodo.cpu similarity index 100% rename from bench/GPU/in.rhodo.cpu rename to bench/FERMI/in.rhodo.cpu diff --git a/bench/GPU/in.rhodo.cuda b/bench/FERMI/in.rhodo.cuda similarity index 100% rename from bench/GPU/in.rhodo.cuda rename to bench/FERMI/in.rhodo.cuda diff --git a/bench/GPU/in.rhodo.gpu b/bench/FERMI/in.rhodo.gpu similarity index 100% rename from bench/GPU/in.rhodo.gpu rename to bench/FERMI/in.rhodo.gpu From 34d05e299f46ed84df38bf59c0e55c9528cb42ae Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 14:28:10 +0000 Subject: [PATCH 02/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12391 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/FERMI/README | 15 ++++++++--- bench/FERMI/in.eam.titan | 37 +++++++++++++++++++++++++++ bench/FERMI/in.lj.titan | 35 ++++++++++++++++++++++++++ bench/FERMI/in.rhodo.scaled.titan | 39 ++++++++++++++++++++++++++++ bench/FERMI/in.rhodo.split.titan | 42 +++++++++++++++++++++++++++++++ 5 files changed, 164 insertions(+), 4 deletions(-) create mode 100644 bench/FERMI/in.eam.titan create mode 100644 bench/FERMI/in.lj.titan create mode 100644 bench/FERMI/in.rhodo.scaled.titan create mode 100644 bench/FERMI/in.rhodo.split.titan diff --git a/bench/FERMI/README b/bench/FERMI/README index 03aeaf8ef9..5244aa8916 100644 --- a/bench/FERMI/README +++ b/bench/FERMI/README @@ -1,7 +1,9 @@ -These are input scripts used to run GPU versions of several of the -benchmarks in the top-level bench directory. The results of running -these scripts on different machines are shown on the GPU section of -the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench). +These are input scripts used to run versions of several of the +benchmarks in the top-level bench directory using the GPU and +USER-CUDA accelerator packages. The results of running these scripts +on two different machines (a desktop with 2 Tesla GPUs and the ORNL +Titan supercomputer) are shown on the "GPU (Fermi)" section of the +Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. Examples are shown below of how to run these scripts. This assumes you have built 3 executables with both the GPU and USER-CUDA packages @@ -59,3 +61,8 @@ many MPI tasks per compute node the problem will run on, and the "g" setting determines how many GPUs per compute node the problem will run on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number of MPI tasks and GPUs (both per compute node) must be equal. + +------------------------------------------------------------------------ + +If the script has "titan" in its name, it was run on the Titan supercomputer +at ORNL. diff --git a/bench/FERMI/in.eam.titan b/bench/FERMI/in.eam.titan new file mode 100644 index 0000000000..871e5df4d0 --- /dev/null +++ b/bench/FERMI/in.eam.titan @@ -0,0 +1,37 @@ +# bulk Cu lattice + +newton off +package gpu force/neigh 0 0 1 +processors * * * grid numa + +variable x index 1 +variable y index 1 +variable z index 1 + +variable xx equal 20*$x +variable yy equal 20*$y +variable zz equal 20*$z + +units metal +atom_style atomic + +lattice fcc 3.615 +region box block 0 ${xx} 0 ${yy} 0 ${zz} +create_box 1 box +create_atoms 1 box + +pair_style eam/gpu +pair_coeff 1 1 Cu_u3.eam + +velocity all create 1600.0 376847 loop geom + +neighbor 1.0 bin +neigh_modify every 1 delay 5 check yes + +fix 1 all nve + +timestep 0.005 +thermo 50 + +run 15 +run 100 diff --git a/bench/FERMI/in.lj.titan b/bench/FERMI/in.lj.titan new file mode 100644 index 0000000000..2b2e8b11e5 --- /dev/null +++ b/bench/FERMI/in.lj.titan @@ -0,0 +1,35 @@ +# 3d Lennard-Jones melt + +newton off +package gpu force/neigh 0 0 1 +processors * * * grid numa + +variable x index 1 +variable y index 1 +variable z index 1 + +variable xx equal 20*$x +variable yy equal 20*$y +variable zz equal 20*$z + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 ${xx} 0 ${yy} 0 ${zz} +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut/gpu 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run 15 +run 100 diff --git a/bench/FERMI/in.rhodo.scaled.titan b/bench/FERMI/in.rhodo.scaled.titan new file mode 100644 index 0000000000..00ee7eaefb --- /dev/null +++ b/bench/FERMI/in.rhodo.scaled.titan @@ -0,0 +1,39 @@ +# Rhodopsin model + +newton off +package gpu force/neigh 0 0 1 +processors * * * grid numa + +variable x index 1 +variable y index 1 +variable z index 1 + +units real +neigh_modify delay 5 every 1 + +atom_style full +atom_modify map hash +bond_style harmonic +angle_style charmm +dihedral_style charmm +improper_style harmonic +pair_style lj/charmm/coul/long/gpu 8.0 ${cutoff} +pair_modify mix arithmetic +kspace_style pppm/gpu 1e-4 + +read_data data.rhodo + +replicate $x $y $z + +fix 1 all shake 0.0001 5 0 m 1.0 a 232 +fix 2 all npt temp 300.0 300.0 100.0 & + z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 + +special_bonds charmm + +thermo 50 +# thermo_style multi +timestep 2.0 + +run 15 +run 100 diff --git a/bench/FERMI/in.rhodo.split.titan b/bench/FERMI/in.rhodo.split.titan new file mode 100644 index 0000000000..83c6ef4eaa --- /dev/null +++ b/bench/FERMI/in.rhodo.split.titan @@ -0,0 +1,42 @@ +# Rhodopsin model + +newton off +package gpu force/neigh 0 0 1 +partition yes 1 processors * * * grid twolevel ${grid} * * * & + part 1 2 multiple +partition yes 2 processors * * * part 1 2 multiple + +variable x index 1 +variable y index 1 +variable z index 1 + +units real +neigh_modify delay 5 every 1 + +atom_style full +atom_modify map hash +bond_style harmonic +angle_style charmm +dihedral_style charmm +improper_style harmonic +pair_style lj/charmm/coul/long/gpu 8.0 ${cutoff} +pair_modify mix arithmetic +kspace_style pppm/gpu 1e-4 + +read_data data.rhodo + +replicate $x $y $z + +fix 1 all shake 0.0001 5 0 m 1.0 a 232 +fix 2 all npt temp 300.0 300.0 100.0 & + z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 + +special_bonds charmm + +thermo 50 +# thermo_style multi +timestep 2.0 + +run_style verlet/split +run 15 +run 100 From f3e11380a73c85f360f34c4a96616bf8caf7cc94 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:21:05 +0000 Subject: [PATCH 03/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12393 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/KEPLER/Makefile.cpu | 108 ++ bench/KEPLER/Makefile.cuda | 108 ++ bench/KEPLER/Makefile.gpu | 108 ++ bench/KEPLER/Makefile.gpu.double | 50 + bench/KEPLER/Makefile.gpu.mixed | 50 + bench/KEPLER/Makefile.gpu.single | 50 + bench/KEPLER/Makefile.intel.cpu | 109 ++ bench/KEPLER/Makefile.kokkos.cuda | 113 ++ bench/KEPLER/Makefile.kokkos.omp | 110 ++ bench/KEPLER/Makefile.omp | 108 ++ bench/KEPLER/Makefile.opt | 108 ++ bench/KEPLER/README | 68 ++ bench/KEPLER/build.py | 181 ++++ bench/KEPLER/in.lj.cpu | 22 + bench/KEPLER/in.lj.cuda | 26 + bench/KEPLER/in.lj.gpu | 29 + bench/KEPLER/in.lj.intel.cpu | 26 + bench/KEPLER/in.lj.kokkos.cuda | 29 + bench/KEPLER/in.lj.kokkos.omp | 26 + bench/KEPLER/in.lj.omp | 26 + bench/KEPLER/in.lj.opt | 22 + bench/KEPLER/run_cpu.sh | 434 ++++++++ bench/KEPLER/run_gpu.sh | 1658 +++++++++++++++++++++++++++++ bench/KEPLER/run_intel_cpu.sh | 83 ++ bench/KEPLER/run_kokkos_cuda.sh | 650 +++++++++++ bench/KEPLER/run_kokkos_omp.sh | 137 +++ bench/KEPLER/run_opt.sh | 29 + bench/KEPLER/run_user_cuda.sh | 164 +++ bench/KEPLER/run_user_omp.sh | 137 +++ 29 files changed, 4769 insertions(+) create mode 100755 bench/KEPLER/Makefile.cpu create mode 100755 bench/KEPLER/Makefile.cuda create mode 100755 bench/KEPLER/Makefile.gpu create mode 100644 bench/KEPLER/Makefile.gpu.double create mode 100644 bench/KEPLER/Makefile.gpu.mixed create mode 100644 bench/KEPLER/Makefile.gpu.single create mode 100755 bench/KEPLER/Makefile.intel.cpu create mode 100755 bench/KEPLER/Makefile.kokkos.cuda create mode 100755 bench/KEPLER/Makefile.kokkos.omp create mode 100755 bench/KEPLER/Makefile.omp create mode 100755 bench/KEPLER/Makefile.opt create mode 100644 bench/KEPLER/README create mode 100644 bench/KEPLER/build.py create mode 100644 bench/KEPLER/in.lj.cpu create mode 100644 bench/KEPLER/in.lj.cuda create mode 100644 bench/KEPLER/in.lj.gpu create mode 100644 bench/KEPLER/in.lj.intel.cpu create mode 100644 bench/KEPLER/in.lj.kokkos.cuda create mode 100644 bench/KEPLER/in.lj.kokkos.omp create mode 100644 bench/KEPLER/in.lj.omp create mode 100644 bench/KEPLER/in.lj.opt create mode 100644 bench/KEPLER/run_cpu.sh create mode 100644 bench/KEPLER/run_gpu.sh create mode 100644 bench/KEPLER/run_intel_cpu.sh create mode 100644 bench/KEPLER/run_kokkos_cuda.sh create mode 100644 bench/KEPLER/run_kokkos_omp.sh create mode 100644 bench/KEPLER/run_opt.sh create mode 100644 bench/KEPLER/run_user_cuda.sh create mode 100644 bench/KEPLER/run_user_omp.sh diff --git a/bench/KEPLER/Makefile.cpu b/bench/KEPLER/Makefile.cpu new file mode 100755 index 0000000000..f27d7e9301 --- /dev/null +++ b/bench/KEPLER/Makefile.cpu @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.cuda b/bench/KEPLER/Makefile.cuda new file mode 100755 index 0000000000..f27d7e9301 --- /dev/null +++ b/bench/KEPLER/Makefile.cuda @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.gpu b/bench/KEPLER/Makefile.gpu new file mode 100755 index 0000000000..f27d7e9301 --- /dev/null +++ b/bench/KEPLER/Makefile.gpu @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.gpu.double b/bench/KEPLER/Makefile.gpu.double new file mode 100644 index 0000000000..19dae5544d --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.double @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_DOUBLE_DOUBLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.gpu.mixed b/bench/KEPLER/Makefile.gpu.mixed new file mode 100644 index 0000000000..97ca9201c7 --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.mixed @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_SINGLE_DOUBLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.gpu.single b/bench/KEPLER/Makefile.gpu.single new file mode 100644 index 0000000000..f8005aaac7 --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.single @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_SINGLE_SINGLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.intel.cpu b/bench/KEPLER/Makefile.intel.cpu new file mode 100755 index 0000000000..49a5f12b8f --- /dev/null +++ b/bench/KEPLER/Makefile.intel.cpu @@ -0,0 +1,109 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O3 -openmp -DLAMMPS_MEMALIGN=64 -no-offload \ + -xHost -fno-alias -ansi-alias -restrict -override-limits +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O -openmp +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.kokkos.cuda b/bench/KEPLER/Makefile.kokkos.cuda new file mode 100755 index 0000000000..3f75694885 --- /dev/null +++ b/bench/KEPLER/Makefile.kokkos.cuda @@ -0,0 +1,113 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = nvcc +CCFLAGS = -O3 -arch=sm_35 +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = mpicxx +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +OMP = yes +CUDA = yes + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules +%.o:%.cu + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.kokkos.omp b/bench/KEPLER/Makefile.kokkos.omp new file mode 100755 index 0000000000..61efa1ff69 --- /dev/null +++ b/bench/KEPLER/Makefile.kokkos.omp @@ -0,0 +1,110 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +OMP = yes + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.omp b/bench/KEPLER/Makefile.omp new file mode 100755 index 0000000000..41c430f0fa --- /dev/null +++ b/bench/KEPLER/Makefile.omp @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O3 -openmp -ansi-alias +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O -openmp +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.opt b/bench/KEPLER/Makefile.opt new file mode 100755 index 0000000000..f27d7e9301 --- /dev/null +++ b/bench/KEPLER/Makefile.opt @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/README b/bench/KEPLER/README new file mode 100644 index 0000000000..5244aa8916 --- /dev/null +++ b/bench/KEPLER/README @@ -0,0 +1,68 @@ +These are input scripts used to run versions of several of the +benchmarks in the top-level bench directory using the GPU and +USER-CUDA accelerator packages. The results of running these scripts +on two different machines (a desktop with 2 Tesla GPUs and the ORNL +Titan supercomputer) are shown on the "GPU (Fermi)" section of the +Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. + +Examples are shown below of how to run these scripts. This assumes +you have built 3 executables with both the GPU and USER-CUDA packages +installed, e.g. + +lmp_linux_single +lmp_linux_mixed +lmp_linux_double + +The precision (single, mixed, double) refers to the GPU and USER-CUDA +pacakge precision. See the README files in the lib/gpu and lib/cuda +directories for instructions on how to build the packages with +different precisions. The doc/Section_accelerate.html file also has a +summary description. + +------------------------------------------------------------------------ + +If the script has "cpu" in its name, it is meant to be run in CPU-only +mode (without using the GPU or USER-CUDA styles). For example: + +mpirun -np 1 ../lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mpirun -np 12 ../lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. + +------------------------------------------------------------------------ + +If the script has "gpu" in its name, it is meant to be run using +the GPU package. For example: + +mpirun -np 12 ../lmp_linux_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu + +mpirun -np 8 ../lmp_linux_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. The "np" setting determines how +many MPI tasks per compute node the problem will run on, and the "g" +setting determines how many GPUs per compute node the problem will run +on, i.e. 1 or 2 in this case. Note that you can use more MPI tasks +than GPUs (both per compute node) with the GPU package. + +------------------------------------------------------------------------ + +If the script has "cuda" in its name, it is meant to be run using +the USER-CUDA package. For example: + +mpirun -np 1 ../lmp_linux_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda + +mpirun -np 2 ../lmp_linux_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. The "np" setting determines how +many MPI tasks per compute node the problem will run on, and the "g" +setting determines how many GPUs per compute node the problem will run +on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number +of MPI tasks and GPUs (both per compute node) must be equal. + +------------------------------------------------------------------------ + +If the script has "titan" in its name, it was run on the Titan supercomputer +at ORNL. diff --git a/bench/KEPLER/build.py b/bench/KEPLER/build.py new file mode 100644 index 0000000000..39b7617a0f --- /dev/null +++ b/bench/KEPLER/build.py @@ -0,0 +1,181 @@ +#!/usr/local/bin/python + +# Syntax: build.py target1 target2 ... +# targets: +# cpu, opt, omp, +# gpu/double, gpu/mixed, gpu/single, +# cuda/double, cuda/mixed, cuda/single, +# intel/cpu, intel/phi, +# kokkos/omp, kokkos/phi, kokkos/cuda +# gpu = gpu/double + gpu/mixed + gpu/single +# cuda = cuda/double + cuda/mixed + cuda/single +# intel = intel/cpu + intel/phi +# kokkos = kokkos/omp + kokkos/phi + kokkos/cuda +# all = cpu + opt + omp + gpu + cuda + intel + kokkos + +# create exectuables for different packages +# MUST set lmpdir to path of LAMMPS home directory + +import sys,commands,os + +lmpdir = "~/lammps" + +# build LAMMPS +# copy makefile into src/MAKE as Makefile.foo, then remove it + +def build_lammps(makefile,pkg): + print "Building LAMMPS with %s and %s packages ..." % (makefile,pkg) + commands.getoutput("cp %s %s/src/MAKE/Makefile.foo" % (makefile,lmpdir)) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/src")) + str = "make clean-foo" + txt = commands.getoutput(str) + str = "make no-all" + txt = commands.getoutput(str) + for package in pkg: + str = "make yes-%s" % package + txt = commands.getoutput(str) + print txt + str = "make -j 16 foo" + txt = commands.getoutput(str) + os.remove("MAKE/Makefile.foo") + os.chdir(cwd) + +# build GPU library in LAMMPS +# copy makefile into lib/gpu as Makefile.foo, then remove it + +def build_gpu(makefile): + print "Building GPU lib with %s ..." % makefile + commands.getoutput("cp %s %s/lib/gpu/Makefile.foo" % (makefile,lmpdir)) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/lib/gpu")) + str = "make -f Makefile.foo clean" + txt = commands.getoutput(str) + str = "make -j 16 -f Makefile.foo" + txt = commands.getoutput(str) + os.remove("Makefile.foo") + os.chdir(cwd) + +# build CUDA library in LAMMPS +# set precision and arch explicitly as options to make in lib/cuda + +def build_cuda(precision,arch): + print "Building USER-CUDA lib with %s and arch sm_%d ..." % (precision,arch) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/lib/cuda")) + str = "make clean" + txt = commands.getoutput(str) + if precision == "double": pflag = 2 + elif precision == "mixed": pflag = 4 + elif precision == "single": pflag = 1 + str = "make -j 16 precision=%d arch=%s" % (pflag,arch) + txt = commands.getoutput(str) + + os.chdir(cwd) + +# main program +# convert target keywords into target flags + +cpu = opt = omp = 0 +gpu_double = gpu_mixed = gpu_single = 0 +cuda_double = cuda_mixed = cuda_single = 0 +intel_cpu = intel_phi = 0 +kokkos_omp = kokkos_phi = kokkos_cuda = 0 + +targets = sys.argv[1:] +for target in targets: + if target == "cpu": cpu = 1 + elif target == "opt": opt = 1 + elif target == "omp": omp = 1 + elif target == "gpu/double": gpu_double = 1 + elif target == "gpu/mixed": gpu_mixed = 1 + elif target == "gpu/single": gpu_single = 1 + elif target == "gpu": gpu_double = gpu_mixed = gpu_single = 1 + elif target == "cuda/double": cuda_double = 1 + elif target == "cuda/mixed": cuda_mixed = 1 + elif target == "cuda/single": cuda_single = 1 + elif target == "cuda": cuda_double = cuda_mixed = cuda_single = 1 + elif target == "intel/cpu": intel_cpu = 1 + elif target == "intel/phi": intel_phi = 1 + elif target == "intel": intel_cpu = intel_phi = 1 + elif target == "kokkos/omp": kokkos_omp = 1 + elif target == "kokkos/phi": kokkos_phi = 1 + elif target == "kokkos/cuda": kokkos_cuda = 1 + elif target == "kokkos": kokkos_omp = kokkos_phi = kokkos_cuda = 1 + else: print "Target",target,"is unknown" + +# CPU + +if cpu: + build_lammps(makefile = "Makefile.cpu", pkg = []) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cpu" % lmpdir) + +# OPT + +if opt: + build_lammps(makefile = "Makefile.opt", pkg = ["opt"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_opt" % lmpdir) + +# OMP + +if omp: + build_lammps(makefile = "Makefile.omp", pkg = ["user-omp"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_omp" % lmpdir) + +# GPU, 3 precisions + +if gpu_double: + build_gpu(makefile = "Makefile.gpu.double") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_double" % lmpdir) + +if gpu_mixed: + build_gpu(makefile = "Makefile.gpu.mixed") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_mixed" % lmpdir) + +if gpu_single: + build_gpu(makefile = "Makefile.gpu.single") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_single" % lmpdir) + +# CUDA, 3 precisions + +if cuda_double: + build_cuda(precision = "double", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_double" % lmpdir) + +if cuda_mixed: + build_cuda(precision = "mixed", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_mixed" % lmpdir) + +if cuda_single: + build_cuda(precision = "single", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_single" % lmpdir) + +# INTEL, CPU and Phi + +if intel_cpu: + build_lammps(makefile = "Makefile.intel.cpu", pkg = ["user-intel"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_intel_cpu" % lmpdir) + +if intel_phi: + build_lammps(makefile = "Makefile.intel.phi", pkg = ["user-intel","user-omp"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_intel_phi" % lmpdir) + +# KOKKOS, all variants + +if kokkos_omp: + build_lammps(makefile = "Makefile.kokkos.omp", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_omp" % lmpdir) + +if kokkos_phi: + build_lammps(makefile = "Makefile.kokkos.phi", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_phi" % lmpdir) + +if kokkos_cuda: + build_lammps(makefile = "Makefile.kokkos.cuda", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_cuda" % lmpdir) diff --git a/bench/KEPLER/in.lj.cpu b/bench/KEPLER/in.lj.cpu new file mode 100644 index 0000000000..ab6988e286 --- /dev/null +++ b/bench/KEPLER/in.lj.cpu @@ -0,0 +1,22 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.cuda b/bench/KEPLER/in.lj.cuda new file mode 100644 index 0000000000..fcf6e37bc7 --- /dev/null +++ b/bench/KEPLER/in.lj.cuda @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set number of GPUs + +package cuda gpu/node $g + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.gpu b/bench/KEPLER/in.lj.gpu new file mode 100644 index 0000000000..6cc2831365 --- /dev/null +++ b/bench/KEPLER/in.lj.gpu @@ -0,0 +1,29 @@ +# 3d Lennard-Jones melt + +# newton off is required for GPU package +# set number of GPUs + +newton off +if "$g == 1" then "package gpu force/neigh 0 0 1" +if "$g == 2" then "package gpu force/neigh 0 1 1" + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.intel.cpu b/bench/KEPLER/in.lj.intel.cpu new file mode 100644 index 0000000000..f8634ead8e --- /dev/null +++ b/bench/KEPLER/in.lj.intel.cpu @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set precision for USER-INTEL package + +package intel 1 $a balance 0.0 + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.kokkos.cuda b/bench/KEPLER/in.lj.kokkos.cuda new file mode 100644 index 0000000000..ae403e70c0 --- /dev/null +++ b/bench/KEPLER/in.lj.kokkos.cuda @@ -0,0 +1,29 @@ +# 3d Lennard-Jones melt + +# set neighlist style and comm mode + +package kokkos neigh full comm/exchange $c comm/forward $c +newton off + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +# set neighbor bins to cutoff + skin + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no binsize 2.8 + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.kokkos.omp b/bench/KEPLER/in.lj.kokkos.omp new file mode 100644 index 0000000000..34bfddcbdd --- /dev/null +++ b/bench/KEPLER/in.lj.kokkos.omp @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set neighlist style and comm mode + +package kokkos neigh $n comm/exchange $c comm/forward $c + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.omp b/bench/KEPLER/in.lj.omp new file mode 100644 index 0000000000..3c80af3e39 --- /dev/null +++ b/bench/KEPLER/in.lj.omp @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set number of threads per MPI task + +package omp $h + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.opt b/bench/KEPLER/in.lj.opt new file mode 100644 index 0000000000..ab6988e286 --- /dev/null +++ b/bench/KEPLER/in.lj.opt @@ -0,0 +1,22 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/run_cpu.sh b/bench/KEPLER/run_cpu.sh new file mode 100644 index 0000000000..b08d606c92 --- /dev/null +++ b/bench/KEPLER/run_cpu.sh @@ -0,0 +1,434 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.1 +mpirun -N 1 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.1 +mpirun -N 1 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.1 +mpirun -N 1 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.1 + +mpirun -N 2 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.2 +mpirun -N 2 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.2 +mpirun -N 2 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.2 +mpirun -N 2 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.2 + +mpirun -N 3 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.3 +mpirun -N 3 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.3 +mpirun -N 3 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.3 +mpirun -N 3 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.3 + +mpirun -N 4 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.4 +mpirun -N 4 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.4 +mpirun -N 4 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.4 +mpirun -N 4 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.4 + +mpirun -N 5 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.5 +mpirun -N 5 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.5 +mpirun -N 5 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.5 +mpirun -N 5 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.5 + +mpirun -N 6 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.6 +mpirun -N 6 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.6 +mpirun -N 6 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.6 +mpirun -N 6 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.6 + +mpirun -N 7 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.7 +mpirun -N 7 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.7 +mpirun -N 7 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.7 +mpirun -N 7 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.7 + +mpirun -N 8 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.8 +mpirun -N 8 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.8 +mpirun -N 8 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.8 +mpirun -N 8 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.8 + +mpirun -N 9 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.9 +mpirun -N 9 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.9 +mpirun -N 9 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.9 +mpirun -N 9 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.9 + +mpirun -N 10 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.10 +mpirun -N 10 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.10 +mpirun -N 10 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.10 +mpirun -N 10 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.10 + +mpirun -N 11 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.11 +mpirun -N 11 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.11 +mpirun -N 11 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.11 +mpirun -N 11 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.11 + +mpirun -N 12 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.12 +mpirun -N 12 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.12 +mpirun -N 12 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.12 +mpirun -N 12 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.12 + +mpirun -N 13 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.13 +mpirun -N 13 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.13 +mpirun -N 13 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.13 +mpirun -N 13 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.13 + +mpirun -N 14 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.14 +mpirun -N 14 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.14 +mpirun -N 14 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.14 +mpirun -N 14 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.14 + +mpirun -N 15 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.15 +mpirun -N 15 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.15 +mpirun -N 15 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.15 +mpirun -N 15 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.15 + +mpirun -N 16 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.16 +mpirun -N 16 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.16 +mpirun -N 16 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.16 +mpirun -N 16 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.16 diff --git a/bench/KEPLER/run_gpu.sh b/bench/KEPLER/run_gpu.sh new file mode 100644 index 0000000000..33faeccc69 --- /dev/null +++ b/bench/KEPLER/run_gpu.sh @@ -0,0 +1,1658 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.16 + +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.16 + +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.16 diff --git a/bench/KEPLER/run_intel_cpu.sh b/bench/KEPLER/run_intel_cpu.sh new file mode 100644 index 0000000000..0cc44a6205 --- /dev/null +++ b/bench/KEPLER/run_intel_cpu.sh @@ -0,0 +1,83 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.8192K.16 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.8192K.16 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.8192K.16 diff --git a/bench/KEPLER/run_kokkos_cuda.sh b/bench/KEPLER/run_kokkos_cuda.sh new file mode 100644 index 0000000000..778cd9acfb --- /dev/null +++ b/bench/KEPLER/run_kokkos_cuda.sh @@ -0,0 +1,650 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.1 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.2 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.3 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.4 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.5 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.6 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.7 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.8 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.9 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.10 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.11 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.12 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.13 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.14 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.15 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.16 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.1 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.2 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.3 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 3 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.3 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.4 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 4 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.4 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.5 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 5 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.5 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.6 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 6 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.6 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.7 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.8 diff --git a/bench/KEPLER/run_kokkos_omp.sh b/bench/KEPLER/run_kokkos_omp.sh new file mode 100644 index 0000000000..b1fa78c79d --- /dev/null +++ b/bench/KEPLER/run_kokkos_omp.sh @@ -0,0 +1,137 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.1.8 + +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.2.8 + +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.4.4 + +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.8.2 + +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.16.1 diff --git a/bench/KEPLER/run_opt.sh b/bench/KEPLER/run_opt.sh new file mode 100644 index 0000000000..30d80a999f --- /dev/null +++ b/bench/KEPLER/run_opt.sh @@ -0,0 +1,29 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.2K.16 +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.4K.16 +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.8K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.16K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.32K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.64K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.128K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.256K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.512K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.1024K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.2048K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.4096K.16 +mpirun -np 16 lmp_opt -sf opt -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.8192K.16 diff --git a/bench/KEPLER/run_user_cuda.sh b/bench/KEPLER/run_user_cuda.sh new file mode 100644 index 0000000000..7e76177bbb --- /dev/null +++ b/bench/KEPLER/run_user_cuda.sh @@ -0,0 +1,164 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.16K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.32K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.64K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.128K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.256K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.512K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.1024K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2048K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4096K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8192K.1 + +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.16K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.32K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.64K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.128K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.256K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.512K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.1024K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2048K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4096K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8192K.2 + +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.16K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.32K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.64K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.128K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.256K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.512K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.1024K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2048K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4096K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8192K.1 + +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.16K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.32K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.64K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.128K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.256K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.512K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.1024K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2048K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4096K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8192K.2 + +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.16K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.32K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.64K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.128K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.256K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.512K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.1024K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2048K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4096K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8192K.1 + +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.16K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.32K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.64K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.128K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.256K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.512K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.1024K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2048K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4096K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8192K.2 diff --git a/bench/KEPLER/run_user_omp.sh b/bench/KEPLER/run_user_omp.sh new file mode 100644 index 0000000000..0b71f15b55 --- /dev/null +++ b/bench/KEPLER/run_user_omp.sh @@ -0,0 +1,137 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.1.16 + +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.2.8 + +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.4.4 + +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.8.2 + +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.16.1 From 0c0e5c356f44e6a95e0c95b635e1a6b2586068d8 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:39:04 +0000 Subject: [PATCH 04/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12394 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/KEPLER/README | 103 +++++++++++++++++++++----------------------- 1 file changed, 49 insertions(+), 54 deletions(-) diff --git a/bench/KEPLER/README b/bench/KEPLER/README index 5244aa8916..1d643beeaa 100644 --- a/bench/KEPLER/README +++ b/bench/KEPLER/README @@ -1,68 +1,63 @@ -These are input scripts used to run versions of several of the -benchmarks in the top-level bench directory using the GPU and -USER-CUDA accelerator packages. The results of running these scripts -on two different machines (a desktop with 2 Tesla GPUs and the ORNL -Titan supercomputer) are shown on the "GPU (Fermi)" section of the -Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. +These are build and input and run scripts used to run the LJ benchmark +in the top-level bench directory using all the various accelerator +packages currently available in LAMMPS. The results of running these +benchmarks on a GPU cluster with Kepler GPUs are shown on the "GPU +(Kepler)" section of the Benchmark page of the LAMMPS WWW site: +lammps.sandia.gov/bench. -Examples are shown below of how to run these scripts. This assumes -you have built 3 executables with both the GPU and USER-CUDA packages -installed, e.g. +The specifics of the benchmark machine are as follows: -lmp_linux_single -lmp_linux_mixed -lmp_linux_double - -The precision (single, mixed, double) refers to the GPU and USER-CUDA -pacakge precision. See the README files in the lib/gpu and lib/cuda -directories for instructions on how to build the packages with -different precisions. The doc/Section_accelerate.html file also has a -summary description. +It is a small GPU cluster at Sandia National Labs called "shannon". It +has 32 nodes, each with two 8-core Sandy Bridge Xeon CPUs (E5-2670, +2.6GHz, HT deactivated), for a total of 512 cores. Twenty-four of the +nodes have two NVIDIA Kepler GPUs (K20x, 2688 732 MHz cores). LAMMPS +was compiled with the Intel icc compiler, using module +openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37. ------------------------------------------------------------------------ -If the script has "cpu" in its name, it is meant to be run in CPU-only -mode (without using the GPU or USER-CUDA styles). For example: +You can of course build LAMMPS yourself with any of the accelerator +packages for your platform. -mpirun -np 1 ../lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu -mpirun -np 12 ../lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +The build.py script will build LAMMPS for the various accelerlator +packages using the Makefile.* files in this dir, which you can edit if +necessary for your platform. You must set the "lmpdir" variable at +the top of build.py to the home directory of LAMMPS as installed on +your system. Then typing, for example, -The "xyz" settings determine the problem size. The "t" setting -determines the number of timesteps. +python build.py cpu gpu + +will build executables for the CPU (no accelerators), and 3 GPU +variants (double, mixed, single precision). See the list +of possible targets at the top of the build.py script. + +Note that the build.py script will un-install all packages in LAMMPS, +then only install the ones needed for the benchmark. The Makefile.* +files in this dir are copied into lammps/src/MAKE, as a dummy +Makefile.foo, so they will not conflict with makefiles that may +already be there. The build.py script also builds the auxiliary +GPU and USER-CUDA library as needed. + +The various LAMMPS executables are copied into this directory +when the build.py script finishes each build. ------------------------------------------------------------------------ -If the script has "gpu" in its name, it is meant to be run using -the GPU package. For example: - -mpirun -np 12 ../lmp_linux_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu - -mpirun -np 8 ../lmp_linux_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu - -The "xyz" settings determine the problem size. The "t" setting -determines the number of timesteps. The "np" setting determines how -many MPI tasks per compute node the problem will run on, and the "g" -setting determines how many GPUs per compute node the problem will run -on, i.e. 1 or 2 in this case. Note that you can use more MPI tasks -than GPUs (both per compute node) with the GPU package. +The in.* files have settings for the benchmark appopriate to each +accelerator package. Many of them, including the problem size, +and number of timsteps, must be set as command-line arguments +when the input script is run. ------------------------------------------------------------------------ -If the script has "cuda" in its name, it is meant to be run using -the USER-CUDA package. For example: +The run*.sh scripts have sample mpirun commands for running the input +scripts on a single node. These are provided for illustration +purposes, to show what command-line arguments are used with each +accelerator package, in combination with settings in the input scripts +themselves. -mpirun -np 1 ../lmp_linux_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda - -mpirun -np 2 ../lmp_linux_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda - -The "xyz" settings determine the problem size. The "t" setting -determines the number of timesteps. The "np" setting determines how -many MPI tasks per compute node the problem will run on, and the "g" -setting determines how many GPUs per compute node the problem will run -on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number -of MPI tasks and GPUs (both per compute node) must be equal. - ------------------------------------------------------------------------- - -If the script has "titan" in its name, it was run on the Titan supercomputer -at ORNL. +Note that we generate these run scripts, either for interactive or +batch submission, via Python scripts which produce a long list of runs +to exercise a combination of options. To perform a quick benchmark +calculation on your platform, you will typically only want to run a +few commands out of any run*.sh script From dfde50e9f7c5831ea071fa326ecc3bd2fca62888 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:41:42 +0000 Subject: [PATCH 05/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12396 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/README | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/bench/README b/bench/README index 4bd97de124..3c02a6b176 100644 --- a/bench/README +++ b/bench/README @@ -4,19 +4,19 @@ This directory contains 5 benchmark problems which are discussed in the Benchmark section of the LAMMPS documentation, and on the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench). -This directory also has 2 sub-directories: +This directory also has several sub-directories: -GPU GPU versions of 3 of these benchmarks -POTENTIALS benchmarks scripts for various potentials in LAMMPS +FERMI benchmark scripts for desktop machine with Fermi GPUs (Tesla) +KEPLER benchmark scripts for GPU cluster with Kepler GPUs +POTENTIALS benchmarks scripts for various potentials in LAMMPS -The scripts and results in both of these directories are discussed on -the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench) as -well. The two directories have their own README files which you -should refer to before running the scripts. +The results for all of these benchmarks are displayed and discussed on +the Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. -The remainer of this file refers to the 5 problems in the top-level -of this directory and how to run them on CPUs, either in serial -or parallel. +The remainder of this file refers to the 5 problems in the top-level +of this directory and how to run them on CPUs, either in serial or +parallel. The directories have their own README files which you +should refer to before running those scripts. ---------------------------------------------------------------------- From e814b5dbcfb03a63d6738808ee1aeaa58058d940 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:42:04 +0000 Subject: [PATCH 06/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12397 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_start.html | 6 +++--- doc/Section_start.txt | 6 +++--- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/doc/Section_start.html b/doc/Section_start.html index 6448a72a76..b75d7cc223 100644 --- a/doc/Section_start.html +++ b/doc/Section_start.html @@ -1222,9 +1222,9 @@ supercomputer there may be dozens or 1000s of physical nodes.

Either the full word or an abbreviation can be used for the keywords. Note that the keywords do not use a leading minus sign. I.e. the keyword is "t", not "-t". Also note that each of the keywords has a -default setting. More explanation as to when to use these options and -what settings to use on different platforms is given in this -section. +default setting. Example of when to use these options and what +settings to use on different platforms is given in Section +5.8.

  • d or device
  • g or gpus diff --git a/doc/Section_start.txt b/doc/Section_start.txt index db3fc8e360..509a031cea 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -1216,9 +1216,9 @@ supercomputer there may be dozens or 1000s of physical nodes. Either the full word or an abbreviation can be used for the keywords. Note that the keywords do not use a leading minus sign. I.e. the keyword is "t", not "-t". Also note that each of the keywords has a -default setting. More explanation as to when to use these options and -what settings to use on different platforms is given in "this -section"_Section_accerlerate.html#acc_8. +default setting. Example of when to use these options and what +settings to use on different platforms is given in "Section +5.8"_Section_accelerate.html#acc_8. d or device g or gpus From 37ab2751d1820532f76e422cbeab82d4692bab76 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:42:15 +0000 Subject: [PATCH 07/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12398 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- lib/gpu/Makefile.linux.double | 2 ++ lib/gpu/Makefile.linux.mixed | 3 +++ lib/gpu/Makefile.linux.single | 2 ++ 3 files changed, 7 insertions(+) diff --git a/lib/gpu/Makefile.linux.double b/lib/gpu/Makefile.linux.double index 1574cd9568..defbe2bc9c 100644 --- a/lib/gpu/Makefile.linux.double +++ b/lib/gpu/Makefile.linux.double @@ -10,6 +10,8 @@ EXTRAMAKE = Makefile.lammps.standard CUDA_HOME = /usr/local/cuda NVCC = nvcc +# Kepler CUDA +#CUDA_ARCH = -arch=sm_35 # Tesla CUDA CUDA_ARCH = -arch=sm_21 # newer CUDA diff --git a/lib/gpu/Makefile.linux.mixed b/lib/gpu/Makefile.linux.mixed index fc01eea46f..42fc8e9740 100644 --- a/lib/gpu/Makefile.linux.mixed +++ b/lib/gpu/Makefile.linux.mixed @@ -8,8 +8,11 @@ EXTRAMAKE = Makefile.lammps.standard CUDA_HOME = /usr/local/cuda +CUDA_HOME = /home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37 NVCC = nvcc +# Kepler CUDA +#CUDA_ARCH = -arch=sm_35 # Tesla CUDA CUDA_ARCH = -arch=sm_21 # newer CUDA diff --git a/lib/gpu/Makefile.linux.single b/lib/gpu/Makefile.linux.single index d0034b0b1f..4048bc8788 100644 --- a/lib/gpu/Makefile.linux.single +++ b/lib/gpu/Makefile.linux.single @@ -10,6 +10,8 @@ EXTRAMAKE = Makefile.lammps.standard CUDA_HOME = /usr/local/cuda NVCC = nvcc +# Kepler CUDA +#CUDA_ARCH = -arch=sm_35 # Tesla CUDA CUDA_ARCH = -arch=sm_21 # newer CUDA From af4909ab513049dbe00e3026bb3574eb40b31ccd Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:42:52 +0000 Subject: [PATCH 08/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12399 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- lib/cuda/Makefile.defaults | 2 +- lib/cuda/Makefile.lammps | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/lib/cuda/Makefile.defaults b/lib/cuda/Makefile.defaults index 16445cca18..2e208c3649 100644 --- a/lib/cuda/Makefile.defaults +++ b/lib/cuda/Makefile.defaults @@ -1,6 +1,6 @@ #precision setting: 1 single, 2 double, 4 mixed -precision ?= 4 +precision ?= 1 #verbose setting: 0 no, 1 yes verbose ?= 1 diff --git a/lib/cuda/Makefile.lammps b/lib/cuda/Makefile.lammps index cb98690689..593a924182 100644 --- a/lib/cuda/Makefile.lammps +++ b/lib/cuda/Makefile.lammps @@ -1,5 +1,5 @@ # Settings that the LAMMPS build will import when this package library is used -CUDA_FLAGS := -I/usr/local/cuda/include -DUNIX -DFFT_CUFFT -DCUDA_PRECISION=1 -DX_PRECISION=2 -DV_PRECISION=2 -DCUDA_ARCH=20 +CUDA_FLAGS := -I/usr/local/cuda/include -DUNIX -DFFT_CUFFT -DCUDA_PRECISION=1 -DCUDA_ARCH=20 CUDA_USRLIB_CONDITIONAL := -L/usr/local/cuda/lib -L/usr/local/cuda/lib64 -lcufft user-cuda_SYSINC = ${CUDA_FLAGS} From 3b20ca9f1a41cf3d71de354eefd81f284549be2a Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:50:18 +0000 Subject: [PATCH 09/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12400 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/KEPLER/README | 33 ++++++++++++++++++++------------- 1 file changed, 20 insertions(+), 13 deletions(-) diff --git a/bench/KEPLER/README b/bench/KEPLER/README index 1d643beeaa..eea12513f5 100644 --- a/bench/KEPLER/README +++ b/bench/KEPLER/README @@ -16,30 +16,37 @@ openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37. ------------------------------------------------------------------------ -You can of course build LAMMPS yourself with any of the accelerator +You can, of course, build LAMMPS yourself with any of the accelerator packages for your platform. The build.py script will build LAMMPS for the various accelerlator packages using the Makefile.* files in this dir, which you can edit if necessary for your platform. You must set the "lmpdir" variable at the top of build.py to the home directory of LAMMPS as installed on -your system. Then typing, for example, +your system. Note that the build.py script hardcodes the arch setting +for the USER-CUDA package, which should be matched to the GPUs on your +system, e.g. sm_35 for Kepler GPUs. For the GPU package, this setting +is in the Makefile.gpu.* files, as is the CUDA_HOME variable which +should point to where NVIDIA Cuda software is installed on your +system. + +Once the Makefiles are in place, then typing, for example, python build.py cpu gpu -will build executables for the CPU (no accelerators), and 3 GPU -variants (double, mixed, single precision). See the list -of possible targets at the top of the build.py script. +will build executables for the CPU (no accelerators), and 3 variants +(double, mixed, single precision) of the GPU package. See the list of +possible targets at the top of the build.py script. -Note that the build.py script will un-install all packages in LAMMPS, -then only install the ones needed for the benchmark. The Makefile.* -files in this dir are copied into lammps/src/MAKE, as a dummy -Makefile.foo, so they will not conflict with makefiles that may -already be there. The build.py script also builds the auxiliary -GPU and USER-CUDA library as needed. +Note that the build.py script will un-install all packages in your +LAMMPS directory, then only install the ones needed for the benchmark. +The Makefile.* files in this dir are copied into lammps/src/MAKE, as a +dummy Makefile.foo, so they will not conflict with makefiles that may +already be there. The build.py script also builds the auxiliary GPU +and USER-CUDA library as needed. -The various LAMMPS executables are copied into this directory -when the build.py script finishes each build. +LAMMPS executables that are generated by build.py are copied into this +directory when the script finishes each build. ------------------------------------------------------------------------ From d143c88dffe36614d03a32051098b2048226b7fa Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 15:58:14 +0000 Subject: [PATCH 10/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12401 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- bench/KEPLER/README | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/bench/KEPLER/README b/bench/KEPLER/README index eea12513f5..feee3e0b41 100644 --- a/bench/KEPLER/README +++ b/bench/KEPLER/README @@ -58,13 +58,14 @@ when the input script is run. ------------------------------------------------------------------------ The run*.sh scripts have sample mpirun commands for running the input -scripts on a single node. These are provided for illustration -purposes, to show what command-line arguments are used with each -accelerator package, in combination with settings in the input scripts -themselves. +scripts on a single node or on multiple nodes for the strong and weak +scaling results shown on the benchmark web page. These scripts are +provided for illustration purposes, to show what command-line +arguments are used with each accelerator package, in combination with +settings in the input scripts themselves. Note that we generate these run scripts, either for interactive or batch submission, via Python scripts which produce a long list of runs to exercise a combination of options. To perform a quick benchmark calculation on your platform, you will typically only want to run a -few commands out of any run*.sh script +few commands out of any of the run*.sh scripts. From 9b4e8563d1eab9f886e9836cdd1404c3d1708213 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 4 Sep 2014 16:09:39 +0000 Subject: [PATCH 11/12] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12402 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Section_accelerate.html | 13 ++++++++++--- doc/Section_accelerate.txt | 13 ++++++++++--- 2 files changed, 20 insertions(+), 6 deletions(-) diff --git a/doc/Section_accelerate.html b/doc/Section_accelerate.html index 3e9658f75e..224ead93fa 100644 --- a/doc/Section_accelerate.html +++ b/doc/Section_accelerate.html @@ -520,10 +520,16 @@ LAMMPS.

    (a) Build the GPU library

    The GPU library is in lammps/lib/gpu. Select a Makefile.machine (in -lib/gpu) appropriate for your system. +lib/gpu) appropriate for your system. You should pay special +attention to 3 settings in this makefile.

    -

    Before building the library, you can set its precision by editing the -CUDA_PREC setting in Makefile.machine, as follows: +

    • CUDA_HOME = needs to be where NVIDIA Cuda software is installed on your system +
    • CUDA_ARCH = needs to be appropriate to your GPUs +
    • CUDA_PREC = precision (double, mixed, single) you desire +
    +

    See lib/gpu/Makefile.linux.double for examples of the ARCH settings +for different GPU choices, e.g. Fermi vs Kepler. It also lists the +possible precision settings: 

    CUDA_PREC = -D_SINGLE_SINGLE  # Single precision for all calculations
 CUDA_PREC = -D_DOUBLE_DOUBLE  # Double precision for all calculations
@@ -745,6 +751,7 @@ the library is built.
   N = 3 for positions in double precision
   N = 4 for positions and velocities in double precision
 arch=M to set GPU compute capability
+  M = 35 for Kepler GPUs
   M = 20 for CC2.0 (GF100/110, e.g. C2050,GTX580,GTX470) (default)
   M = 21 for CC2.1 (GF104/114,  e.g. GTX560, GTX460, GTX450)
   M = 13 for CC1.3 (GF200, e.g. C1060, GTX285)
diff --git a/doc/Section_accelerate.txt b/doc/Section_accelerate.txt
index 649a448f13..de7c9473bc 100644
--- a/doc/Section_accelerate.txt
+++ b/doc/Section_accelerate.txt
@@ -513,10 +513,16 @@ LAMMPS.
 (a) Build the GPU library
 
 The GPU library is in lammps/lib/gpu.  Select a Makefile.machine (in
-lib/gpu) appropriate for your system.
+lib/gpu) appropriate for your system.  You should pay special
+attention to 3 settings in this makefile.
 
-Before building the library, you can set its precision by editing the
-CUDA_PREC setting in Makefile.machine, as follows:
+CUDA_HOME = needs to be where NVIDIA Cuda software is installed on your system
+CUDA_ARCH = needs to be appropriate to your GPUs
+CUDA_PREC = precision (double, mixed, single) you desire :ul
+
+See lib/gpu/Makefile.linux.double for examples of the ARCH settings
+for different GPU choices, e.g. Fermi vs Kepler.  It also lists the
+possible precision settings:
 
 CUDA_PREC = -D_SINGLE_SINGLE  # Single precision for all calculations
 CUDA_PREC = -D_DOUBLE_DOUBLE  # Double precision for all calculations
@@ -738,6 +744,7 @@ the library is built.
   N = 3 for positions in double precision
   N = 4 for positions and velocities in double precision
 {arch=M} to set GPU compute capability
+  M = 35 for Kepler GPUs
   M = 20 for CC2.0 (GF100/110, e.g. C2050,GTX580,GTX470) (default)
   M = 21 for CC2.1 (GF104/114,  e.g. GTX560, GTX460, GTX450)
   M = 13 for CC1.3 (GF200, e.g. C1060, GTX285)

From 451d5c04efaba60e8a20c7885dbc73b0b32ac0f2 Mon Sep 17 00:00:00 2001
From: sjplimp 
Date: Thu, 4 Sep 2014 16:09:47 +0000
Subject: [PATCH 12/12] git-svn-id:
 svn://svn.icms.temple.edu/lammps-ro/trunk@12403
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 lib/cuda/Makefile.defaults | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/lib/cuda/Makefile.defaults b/lib/cuda/Makefile.defaults
index 2e208c3649..55a65915dc 100644
--- a/lib/cuda/Makefile.defaults
+++ b/lib/cuda/Makefile.defaults
@@ -5,7 +5,7 @@ precision ?= 1
 #verbose setting: 0 no, 1 yes
 verbose ?= 1
 
-#GPU architecture (compute capability): 13, 20, 21
+#GPU architecture (compute capability): 13, 20, 21, 35
 arch ?= 20
 
 #Using cufft (should not be changed)