Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts: lib/cuda/Makefile.defaults lib/cuda/Makefile.lammps
This commit is contained in:
Axel Kohlmeyer
@ -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.
|
||||
37
bench/FERMI/in.eam.titan
Normal file
37
bench/FERMI/in.eam.titan
Normal file
@ -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 ${zz}
|
||||
create_box 1 box
|
||||
create_atoms 1 box
|
||||
|
||||
pair_style eam/gpu
|
||||
pair_coeff 1 1 Cu_u3.eam
|
||||
|
||||
velocity all create 1600.0 376847 loop geom
|
||||
|
||||
neighbor 1.0 bin
|
||||
neigh_modify every 1 delay 5 check yes
|
||||
|
||||
fix 1 all nve
|
||||
|
||||
timestep 0.005
|
||||
thermo 50
|
||||
|
||||
run 15
|
||||
run 100
|
||||
35
bench/FERMI/in.lj.titan
Normal file
35
bench/FERMI/in.lj.titan
Normal file
@ -0,0 +1,35 @@
|
||||
# 3d Lennard-Jones melt
|
||||
|
||||
newton off
|
||||
package gpu force/neigh 0 0 1
|
||||
processors * * * grid numa
|
||||
|
||||
variable x index 1
|
||||
variable y index 1
|
||||
variable z index 1
|
||||
|
||||
variable xx equal 20*$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
|
||||
39
bench/FERMI/in.rhodo.scaled.titan
Normal file
39
bench/FERMI/in.rhodo.scaled.titan
Normal file
@ -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
|
||||
42
bench/FERMI/in.rhodo.split.titan
Normal file
42
bench/FERMI/in.rhodo.split.titan
Normal file
@ -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
|
||||
108
bench/KEPLER/Makefile.cpu
Executable file
108
bench/KEPLER/Makefile.cpu
Executable file
@ -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)
|
||||
108
bench/KEPLER/Makefile.cuda
Executable file
108
bench/KEPLER/Makefile.cuda
Executable file
@ -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)
|
||||
108
bench/KEPLER/Makefile.gpu
Executable file
108
bench/KEPLER/Makefile.gpu
Executable file
@ -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 $(DEPENDS)
|
||||
50
bench/KEPLER/Makefile.gpu.double
Normal file
50
bench/KEPLER/Makefile.gpu.double
Normal file
@ -0,0 +1,50 @@
|
||||
# /* ----------------------------------------------------------------------
|
||||
# Generic Linux Makefile for CUDA
|
||||
# - Change CUDA_ARCH for your GPU
|
||||
# ------------------------------------------------------------------------- */
|
||||
|
||||
# which file will be copied to Makefile.lammps
|
||||
|
||||
EXTRAMAKE = Makefile.lammps.standard
|
||||
|
||||
CUDA_HOME = /home/projects/cuda/6.0.37
|
||||
NVCC = nvcc
|
||||
|
||||
# Kepler CUDA
|
||||
CUDA_ARCH = -arch=sm_35
|
||||
# Tesla CUDA
|
||||
#CUDA_ARCH = -arch=sm_21
|
||||
# newer CUDA
|
||||
#CUDA_ARCH = -arch=sm_13
|
||||
# older CUDA
|
||||
#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
|
||||
|
||||
# this setting should match LAMMPS Makefile
|
||||
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
|
||||
|
||||
LMP_INC = -DLAMMPS_SMALLBIG
|
||||
|
||||
# precision for GPU calculations
|
||||
# -D_SINGLE_SINGLE # Single precision for all calculations
|
||||
# -D_DOUBLE_DOUBLE # Double precision for all calculations
|
||||
# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
|
||||
|
||||
CUDA_PRECISION = -D_DOUBLE_DOUBLE
|
||||
|
||||
CUDA_INCLUDE = -I$(CUDA_HOME)/include
|
||||
CUDA_LIB = -L$(CUDA_HOME)/lib64
|
||||
CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math
|
||||
|
||||
CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK
|
||||
CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias
|
||||
|
||||
BIN_DIR = ./
|
||||
OBJ_DIR = ./
|
||||
LIB_DIR = ./
|
||||
AR = ar
|
||||
BSH = /bin/sh
|
||||
|
||||
CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
|
||||
|
||||
include Nvidia.makefile
|
||||
|
||||
50
bench/KEPLER/Makefile.gpu.mixed
Normal file
50
bench/KEPLER/Makefile.gpu.mixed
Normal file
@ -0,0 +1,50 @@
|
||||
# /* ----------------------------------------------------------------------
|
||||
# Generic Linux Makefile for CUDA
|
||||
# - Change CUDA_ARCH for your GPU
|
||||
# ------------------------------------------------------------------------- */
|
||||
|
||||
# which file will be copied to Makefile.lammps
|
||||
|
||||
EXTRAMAKE = Makefile.lammps.standard
|
||||
|
||||
CUDA_HOME = /home/projects/cuda/6.0.37
|
||||
NVCC = nvcc
|
||||
|
||||
# Kepler CUDA
|
||||
CUDA_ARCH = -arch=sm_35
|
||||
# Tesla CUDA
|
||||
#CUDA_ARCH = -arch=sm_21
|
||||
# newer CUDA
|
||||
#CUDA_ARCH = -arch=sm_13
|
||||
# older CUDA
|
||||
#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
|
||||
|
||||
# this setting should match LAMMPS Makefile
|
||||
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
|
||||
|
||||
LMP_INC = -DLAMMPS_SMALLBIG
|
||||
|
||||
# precision for GPU calculations
|
||||
# -D_SINGLE_SINGLE # Single precision for all calculations
|
||||
# -D_DOUBLE_DOUBLE # Double precision for all calculations
|
||||
# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
|
||||
|
||||
CUDA_PRECISION = -D_SINGLE_DOUBLE
|
||||
|
||||
CUDA_INCLUDE = -I$(CUDA_HOME)/include
|
||||
CUDA_LIB = -L$(CUDA_HOME)/lib64
|
||||
CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math
|
||||
|
||||
CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK
|
||||
CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias
|
||||
|
||||
BIN_DIR = ./
|
||||
OBJ_DIR = ./
|
||||
LIB_DIR = ./
|
||||
AR = ar
|
||||
BSH = /bin/sh
|
||||
|
||||
CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
|
||||
|
||||
include Nvidia.makefile
|
||||
|
||||
50
bench/KEPLER/Makefile.gpu.single
Normal file
50
bench/KEPLER/Makefile.gpu.single
Normal file
@ -0,0 +1,50 @@
|
||||
# /* ----------------------------------------------------------------------
|
||||
# Generic Linux Makefile for CUDA
|
||||
# - Change CUDA_ARCH for your GPU
|
||||
# ------------------------------------------------------------------------- */
|
||||
|
||||
# which file will be copied to Makefile.lammps
|
||||
|
||||
EXTRAMAKE = Makefile.lammps.standard
|
||||
|
||||
CUDA_HOME = /home/projects/cuda/6.0.37
|
||||
NVCC = nvcc
|
||||
|
||||
# Kepler CUDA
|
||||
CUDA_ARCH = -arch=sm_35
|
||||
# Tesla CUDA
|
||||
#CUDA_ARCH = -arch=sm_21
|
||||
# newer CUDA
|
||||
#CUDA_ARCH = -arch=sm_13
|
||||
# older CUDA
|
||||
#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
|
||||
|
||||
# this setting should match LAMMPS Makefile
|
||||
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
|
||||
|
||||
LMP_INC = -DLAMMPS_SMALLBIG
|
||||
|
||||
# precision for GPU calculations
|
||||
# -D_SINGLE_SINGLE # Single precision for all calculations
|
||||
# -D_DOUBLE_DOUBLE # Double precision for all calculations
|
||||
# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
|
||||
|
||||
CUDA_PRECISION = -D_SINGLE_SINGLE
|
||||
|
||||
CUDA_INCLUDE = -I$(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
|
||||
|
||||
109
bench/KEPLER/Makefile.intel.cpu
Executable file
109
bench/KEPLER/Makefile.intel.cpu
Executable file
@ -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)
|
||||
113
bench/KEPLER/Makefile.kokkos.cuda
Executable file
113
bench/KEPLER/Makefile.kokkos.cuda
Executable file
@ -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)
|
||||
110
bench/KEPLER/Makefile.kokkos.omp
Executable file
110
bench/KEPLER/Makefile.kokkos.omp
Executable file
@ -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)
|
||||
108
bench/KEPLER/Makefile.omp
Executable file
108
bench/KEPLER/Makefile.omp
Executable file
@ -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)
|
||||
108
bench/KEPLER/Makefile.opt
Executable file
108
bench/KEPLER/Makefile.opt
Executable file
@ -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)
|
||||
71
bench/KEPLER/README
Normal file
71
bench/KEPLER/README
Normal file
@ -0,0 +1,71 @@
|
||||
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.
|
||||
|
||||
The specifics of the benchmark machine are as follows:
|
||||
|
||||
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.
|
||||
|
||||
------------------------------------------------------------------------
|
||||
|
||||
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. 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 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 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.
|
||||
|
||||
LAMMPS executables that are generated by build.py are copied into this
|
||||
directory when the script finishes each build.
|
||||
|
||||
------------------------------------------------------------------------
|
||||
|
||||
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.
|
||||
|
||||
------------------------------------------------------------------------
|
||||
|
||||
The run*.sh scripts have sample mpirun commands for running the input
|
||||
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 of the run*.sh scripts.
|
||||
181
bench/KEPLER/build.py
Normal file
181
bench/KEPLER/build.py
Normal file
@ -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)
|
||||
22
bench/KEPLER/in.lj.cpu
Normal file
22
bench/KEPLER/in.lj.cpu
Normal file
@ -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
|
||||
26
bench/KEPLER/in.lj.cuda
Normal file
26
bench/KEPLER/in.lj.cuda
Normal file
@ -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 $t
|
||||
29
bench/KEPLER/in.lj.gpu
Normal file
29
bench/KEPLER/in.lj.gpu
Normal file
@ -0,0 +1,29 @@
|
||||
# 3d Lennard-Jones melt
|
||||
|
||||
# newton off is required for GPU package
|
||||
# set number of GPUs
|
||||
|
||||
newton off
|
||||
if "$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
|
||||
26
bench/KEPLER/in.lj.intel.cpu
Normal file
26
bench/KEPLER/in.lj.intel.cpu
Normal file
@ -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
|
||||
29
bench/KEPLER/in.lj.kokkos.cuda
Normal file
29
bench/KEPLER/in.lj.kokkos.cuda
Normal file
@ -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
|
||||
26
bench/KEPLER/in.lj.kokkos.omp
Normal file
26
bench/KEPLER/in.lj.kokkos.omp
Normal file
@ -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
|
||||
26
bench/KEPLER/in.lj.omp
Normal file
26
bench/KEPLER/in.lj.omp
Normal file
@ -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
|
||||
22
bench/KEPLER/in.lj.opt
Normal file
22
bench/KEPLER/in.lj.opt
Normal file
@ -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
|
||||
434
bench/KEPLER/run_cpu.sh
Normal file
434
bench/KEPLER/run_cpu.sh
Normal file
@ -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
|
||||
1658
bench/KEPLER/run_gpu.sh
Normal file
1658
bench/KEPLER/run_gpu.sh
Normal file
File diff suppressed because it is too large
Load Diff
83
bench/KEPLER/run_intel_cpu.sh
Normal file
83
bench/KEPLER/run_intel_cpu.sh
Normal file
@ -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
|
||||
650
bench/KEPLER/run_kokkos_cuda.sh
Normal file
650
bench/KEPLER/run_kokkos_cuda.sh
Normal file
@ -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
|
||||
137
bench/KEPLER/run_kokkos_omp.sh
Normal file
137
bench/KEPLER/run_kokkos_omp.sh
Normal file
@ -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
|
||||
29
bench/KEPLER/run_opt.sh
Normal file
29
bench/KEPLER/run_opt.sh
Normal file
@ -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
|
||||
164
bench/KEPLER/run_user_cuda.sh
Normal file
164
bench/KEPLER/run_user_cuda.sh
Normal file
@ -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
|
||||
137
bench/KEPLER/run_user_omp.sh
Normal file
137
bench/KEPLER/run_user_omp.sh
Normal file
@ -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
|
||||
20
bench/README
20
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.
|
||||
|
||||
----------------------------------------------------------------------
|
||||
|
||||
|
||||
@ -520,10 +520,16 @@ LAMMPS.
|
||||
<P>(a) Build the GPU library
|
||||
</P>
|
||||
<P>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.
|
||||
</P>
|
||||
<P>Before building the library, you can set its precision by editing the
|
||||
CUDA_PREC setting in Makefile.machine, as follows:
|
||||
<UL><LI>CUDA_HOME = needs to be where NVIDIA Cuda software is installed on your system
|
||||
<LI>CUDA_ARCH = needs to be appropriate to your GPUs
|
||||
<LI>CUDA_PREC = precision (double, mixed, single) you desire
|
||||
</UL>
|
||||
<P>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:
|
||||
</P>
|
||||
<PRE>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
|
||||
<I>arch=M</I> 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)
|
||||
|
||||
@ -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)
|
||||
|
||||
@ -1222,9 +1222,9 @@ supercomputer there may be dozens or 1000s of physical nodes.
|
||||
<P>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 <A HREF = "Section_accerlerate.html#acc_8">this
|
||||
section</A>.
|
||||
default setting. Example of when to use these options and what
|
||||
settings to use on different platforms is given in <A HREF = "Section_accelerate.html#acc_8">Section
|
||||
5.8</A>.
|
||||
</P>
|
||||
<UL><LI>d or device
|
||||
<LI>g or gpus
|
||||
|
||||
@ -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
|
||||
|
||||
@ -5,7 +5,7 @@ precision ?= 4
|
||||
#verbose setting: 0 no, 1 yes
|
||||
verbose ?= 1
|
||||
|
||||
#GPU architecture (compute capability): 13, 20, 21
|
||||
#GPU architecture (compute capability): 13, 20, 21, 30, 35
|
||||
arch ?= 21
|
||||
|
||||
#Using cufft (should not be changed)
|
||||
|
||||
@ -5,4 +5,3 @@ CUDA_USRLIB_CONDITIONAL := -L$(CUDA_HOME)/lib -L$(CUDA_HOME)/lib64 -lcufft
|
||||
user-cuda_SYSINC = ${CUDA_FLAGS}
|
||||
user-cuda_SYSLIB = -lcuda -lcudart
|
||||
user-cuda_SYSPATH = $(CUDA_USRLIB_CONDITIONAL)
|
||||
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
@ -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
|
||||
|
||||
Reference in New Issue
Block a user