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lammps/bench/KEPLER/build.py
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build.py
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#!/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 = gpu_double = gpu_mixed = gpu_single = 0
cuda = cuda_double = cuda_mixed = cuda_single = 0
intel = intel_cpu = intel_phi = 0
kokkos = 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 = 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 = 1
elif target == "intel/cpu": intel_cpu = 1
elif target == "intel/phi": intel_phi = 1
elif target == "intel": intel = 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 = 1
elif target == "all": cpu = omp = gpu = cuda = intel = kokkos = 1
else: print "Target",target,"is unknown"
if gpu: gpu_double = gpu_mixed = gpu_single = 1
if cuda: cuda_double = cuda_mixed = cuda_single = 1
if intel: intel_cpu = intel_phi = 1
if kokkos: kokkos_omp = kokkos_phi = kokkos_cuda = 1
# 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)
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