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Merge pull request #645 from akohlmey/kokkos-makefile-updates

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Some small kokkos makefile updates
This commit is contained in:
Steve Plimpton
2017-09-20 08:40:20 -06:00
committed by GitHub
parent d101fe3e79 366d087027
commit 2e9803efb3
4 changed files with 8 additions and 131 deletions
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2
doc/src/Section_start.txt
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@ -920,7 +920,7 @@ CPUs and KNLs; the KOKKOS package builds for CPUs (OpenMP), GPUs
Makefile.intel_cpu
Makefile.intel_phi
Makefile.kokkos_omp
Makefile.kokkos_cuda
Makefile.kokkos_cuda_mpi
Makefile.kokkos_phi
Makefile.omp
Makefile.opt :ul

10
doc/src/accelerate_kokkos.txt
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@ -135,10 +135,10 @@ GPUs, or Phi.
You can do any of these in one line, using the suitable make command
line flags as described in "Section 4"_Section_packages.html of the
manual. If run from the src directory, these
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda_mpi, and
lmp_kokkos_phi. Note that the OMP and PHI options use
src/MAKE/Makefile.mpi as the starting Makefile.machine. The CUDA
option uses src/MAKE/OPTIONS/Makefile.kokkos_cuda.
option uses src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi.
The latter two steps can be done using the "-k on", "-pk kokkos" and
"-sf kk" "command-line switches"_Section_start.html#start_6
@ -159,7 +159,7 @@ CPU-only (only MPI, no threading):
cd lammps/src
make yes-kokkos
make kokkos_mpi :pre
make kokkos_mpi_only :pre
Intel Xeon Phi (Intel Compiler, Intel MPI):
@ -167,11 +167,11 @@ cd lammps/src
make yes-kokkos
make kokkos_phi :pre
CPUs and GPUs (with MPICH):
CPUs and GPUs (with MPICH or OpenMPI):
cd lammps/src
make yes-kokkos
make kokkos_cuda_mpich :pre
make kokkos_cuda_mpi :pre
These examples set the KOKKOS-specific OMP, MIC, CUDA variables on the
make command line which requires a GNU-compatible make command. Try

3
src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpich → src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
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@ -1,4 +1,4 @@
# kokkos_cuda = KOKKOS/CUDA package, MPICH with nvcc compiler, Kepler GPU
# kokkos_cuda_mpi = KOKKOS/CUDA package, MPICH or OpenMPI with nvcc compiler, Kepler GPU
SHELL = /bin/sh
@ -8,6 +8,7 @@ SHELL = /bin/sh
KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
export MPICH_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
CC = mpicxx
CCFLAGS = -g -O3
SHFLAGS = -fPIC

124
src/MAKE/OPTIONS/Makefile.kokkos_cuda_openmpi
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@ -1,124 +0,0 @@
# kokkos_cuda = KOKKOS/CUDA package, OpenMPI with nvcc compiler, Kepler GPU
SHELL = /bin/sh
# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler
KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd)
export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper
CC = mpicxx
CCFLAGS = -g -O3
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = mpicxx
LINKFLAGS = -g -O3
LIB =
SIZE = size
ARCHIVE = ar
ARFLAGS = -rc
SHLIBFLAGS = -shared
KOKKOS_DEVICES = Cuda, OpenMP
KOKKOS_ARCH = Kepler35
# ---------------------------------------------------------------------
# LAMMPS-specific settings, all OPTIONAL
# specify settings for LAMMPS features you will use
# if you change any -D setting, do full re-compile after "make clean"
# LAMMPS ifdef settings
# see possible settings in Section 2.2 (step 4) of manual
LMP_INC = -DLAMMPS_GZIP
# MPI library
# see discussion in Section 2.2 (step 5) of manual
# MPI wrapper compiler/linker can provide this info
# can point to dummy MPI library in src/STUBS as in Makefile.serial
# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts
# INC = path for mpi.h, MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1
MPI_PATH =
MPI_LIB =
# FFT library
# see discussion in Section 2.2 (step 6) of manaul
# 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
# see discussion in Section 2.2 (step 7) of manual
# 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 =
# ---------------------------------------------------------------------
# build rules and dependencies
# do not 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)
EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS)
EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS)
# Path to src files
vpath %.cpp ..
vpath %.h ..
# Link target
$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS)
$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
$(SIZE) $(EXE)
# Library targets
lib: $(OBJ) $(EXTRA_LINK_DEPENDS)
$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
shlib: $(OBJ) $(EXTRA_LINK_DEPENDS)
$(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \
$(OBJ) $(EXTRA_LIB) $(LIB)
# Compilation rules
%.o:%.cpp $(EXTRA_CPP_DEPENDS)
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
%.d:%.cpp $(EXTRA_CPP_DEPENDS)
$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
%.o:%.cu $(EXTRA_CPP_DEPENDS)
$(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $<
# Individual dependencies
depend : fastdep.exe $(SRC)
@./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1
fastdep.exe: ../DEPEND/fastdep.c
cc -O -o $@ $<
sinclude .depend