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lammps/lib/gpu/Install.py
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Install.py
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#!/usr/bin/env python
# Install.py tool to build the GPU library
# used to automate the steps described in the README file in this dir
import sys,os,re,commands
# help message
help = """
Syntax from src dir: make lib-gpu args="-i isuffix -h hdir -a arch -p precision -e esuffix -m -o osuffix"
Syntax from lib dir: python Install.py -i isuffix -h hdir -a arch -p precision -e esuffix -m -o osuffix
specify one or more options, order does not matter
copies an existing Makefile.isuffix in lib/gpu to Makefile.auto
optionally edits these variables in Makefile.auto:
CUDA_HOME, CUDA_ARCH, CUDA_PRECISION, EXTRAMAKE
optionally uses Makefile.auto to build the GPU library -> libgpu.a
and to copy a Makefile.lammps.esuffix -> Makefile.lammps
optionally copies Makefile.auto to a new Makefile.osuffix
-i = use Makefile.isuffix as starting point, copy to Makefile.auto
default isuffix = linux
-h = set CUDA_HOME variable in Makefile.auto to hdir
hdir = path to NVIDIA Cuda software, e.g. /usr/local/cuda
-a = set CUDA_ARCH variable in Makefile.auto to arch
use arch = ?? for K40 (Tesla)
use arch = 37 for dual K80 (Tesla)
use arch = 60 for P100 (Pascal)
-p = set CUDA_PRECISION variable in Makefile.auto to precision
use precision = double or mixed or single
-e = set EXTRAMAKE variable in Makefile.auto to Makefile.lammps.esuffix
-m = make the GPU library using Makefile.auto
first performs a "make clean"
produces libgpu.a if successful
also copies EXTRAMAKE file -> Makefile.lammps
-e can set which Makefile.lammps.esuffix file is copied
-o = copy final Makefile.auto to Makefile.osuffix
Examples:
make lib-gpu args="-m" # build GPU lib with default Makefile.linux
make lib-gpu args="-i xk7 -p single -o xk7.single" # create new Makefile.xk7.single, altered for single-precision
make lib-gpu args="-i xk7 -p single -o xk7.single -m" # ditto, also build GPU lib
"""
# print error message or help
def error(str=None):
if not str: print help
else: print "ERROR",str
sys.exit()
# parse args
args = sys.argv[1:]
nargs = len(args)
if nargs == 0: error()
isuffix = "linux"
hflag = aflag = pflag = eflag = 0
makeflag = 0
outflag = 0
iarg = 0
while iarg < nargs:
if args[iarg] == "-i":
if iarg+2 > nargs: error()
isuffix = args[iarg+1]
iarg += 2
elif args[iarg] == "-h":
if iarg+2 > nargs: error()
hflag = 1
hdir = args[iarg+1]
iarg += 2
elif args[iarg] == "-a":
if iarg+2 > nargs: error()
aflag = 1
arch = args[iarg+1]
iarg += 2
elif args[iarg] == "-p":
if iarg+2 > nargs: error()
pflag = 1
precision = args[iarg+1]
iarg += 2
elif args[iarg] == "-e":
if iarg+2 > nargs: error()
eflag = 1
lmpsuffix = args[iarg+1]
iarg += 2
elif args[iarg] == "-m":
makeflag = 1
iarg += 1
elif args[iarg] == "-o":
if iarg+2 > nargs: error()
outflag = 1
osuffix = args[iarg+1]
iarg += 2
else: error()
if pflag:
if precision == "double": precstr = "-D_DOUBLE_DOUBLE"
elif precision == "mixed": precstr = "-D_SINGLE_DOUBLE"
elif precision == "single": precstr = "-D_SINGLE_SINGLE"
else: error("Invalid precision setting")
# create Makefile.auto
# reset EXTRAMAKE, CUDA_HOME, CUDA_ARCH, CUDA_PRECISION if requested
if not os.path.exists("Makefile.%s" % isuffix):
error("lib/gpu/Makefile.%s does not exist" % isuffix)
lines = open("Makefile.%s" % isuffix,'r').readlines()
fp = open("Makefile.auto",'w')
for line in lines:
words = line.split()
if len(words) != 3:
print >>fp,line,
continue
if hflag and words[0] == "CUDA_HOME" and words[1] == '=':
line = line.replace(words[2],hdir)
if aflag and words[0] == "CUDA_ARCH" and words[1] == '=':
line = line.replace(words[2],"-arch=sm_%s" % arch)
if pflag and words[0] == "CUDA_PRECISION" and words[1] == '=':
line = line.replace(words[2],precstr)
if eflag and words[0] == "EXTRAMAKE" and words[1] == '=':
line = line.replace(words[2],"Makefile.lammps.%s" % lmpsuffix)
print >>fp,line,
fp.close()
# perform make
# make operations copies EXTRAMAKE file to Makefile.lammps
if makeflag:
print "Building libgpu.a ..."
cmd = "rm -f libgpu.a"
commands.getoutput(cmd)
cmd = "make -f Makefile.auto clean; make -f Makefile.auto"
commands.getoutput(cmd)
if not os.path.exists("libgpu.a"):
error("Build of lib/gpu/libgpu.a was NOT successful")
if not os.path.exists("Makefile.lammps"):
error("lib/gpu/Makefile.lammps was NOT created")
# copy new Makefile.auto to Makefile.osuffix
if outflag:
print "Creating new Makefile.%s" % osuffix
cmd = "cp Makefile.auto Makefile.%s" % osuffix
commands.getoutput(cmd)
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