forked from lijiext/lammps
make gpu library Install.py use argparse module
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@ -95,6 +95,7 @@ which GPU hardware to build for.
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GPU_ARCH settings for different GPU hardware is as follows:
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sm_12 or sm_13 for GT200 (supported by CUDA 3.2 until CUDA 6.5)
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sm_20 or sm_21 for Fermi (supported by CUDA 3.2 until CUDA 7.5)
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sm_30 or sm_35 or sm_37 for Kepler (supported since CUDA 5)
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sm_50 or sm_52 for Maxwell (supported since CUDA 6)
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@ -135,7 +136,7 @@ specified by the "-m" switch. For your convenience, machine makefiles
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for "mpi" and "serial" are provided, which have the same settings as
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the corresponding machine makefiles in the main LAMMPS source
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folder. In addition you can alter 4 important settings in the
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Makefile.machine you start from via the corresponding -h, -a, -p, -e
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Makefile.machine you start from via the corresponding -c, -a, -p, -e
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switches (as in the examples above), and also save a copy of the new
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Makefile if desired:
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@ -4,9 +4,13 @@
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# used to automate the steps described in the README file in this dir
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from __future__ import print_function
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import sys,os,subprocess
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import sys,os,subprocess,shutil
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sys.path.append('..')
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from install_helpers import error,get_cpus
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from install_helpers import get_cpus
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from argparse import ArgumentParser
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parser = ArgumentParser(prog='Install.py',
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description="LAMMPS library build wrapper script")
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# help message
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@ -23,29 +27,6 @@ optionally uses Makefile.auto to build the GPU library -> libgpu.a
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and to copy a Makefile.lammps.esuffix -> Makefile.lammps
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optionally copies Makefile.auto to a new Makefile.osuffix
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-m = use Makefile.machine as starting point, copy to Makefile.auto
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default machine = linux
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default for -h, -a, -p, -e settings are those in -m Makefile
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-h = set CUDA_HOME variable in Makefile.auto to hdir
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hdir = path to NVIDIA Cuda software, e.g. /usr/local/cuda
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-a = set CUDA_ARCH variable in Makefile.auto to arch
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use arch = sm_20 for Fermi (C2050/C2070, deprecated as of CUDA 8.0)
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or GeForce GTX 580 or similar
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use arch = sm_30 for Kepler (K10)
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use arch = sm_35 for Kepler (K40) or GeForce GTX Titan or similar
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use arch = sm_37 for Kepler (dual K80)
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use arch = sm_60 for Pascal (P100)
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use arch = sm_70 for Volta
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-p = set CUDA_PRECISION variable in Makefile.auto to precision
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use precision = double or mixed or single
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-e = set EXTRAMAKE variable in Makefile.auto to Makefile.lammps.esuffix
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-b = make the GPU library using Makefile.auto
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first performs a "make clean"
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then produces libgpu.a if successful
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also copies EXTRAMAKE file -> Makefile.lammps
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-e can set which Makefile.lammps.esuffix file is copied
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-o = copy final Makefile.auto to Makefile.osuffix
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Examples:
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make lib-gpu args="-b" # build GPU lib with default Makefile.linux
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@ -53,58 +34,56 @@ make lib-gpu args="-m xk7 -p single -o xk7.single" # create new Makefile.xk
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make lib-gpu args="-m mpi -a sm_35 -p single -o mpi.mixed -b" # create new Makefile.mpi.mixed, also build GPU lib with these settings
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"""
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# parse args
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# parse and process arguments
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args = sys.argv[1:]
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nargs = len(args)
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if nargs == 0: error(help=help)
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parser.add_argument("-b", "--build", action="store_true",
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help="build the GPU library from scratch from a customized Makefile.auto")
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parser.add_argument("-m", "--machine", default='linux',
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help="suffix of Makefile.machine used as base for customizing Makefile.auto")
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parser.add_argument("-a", "--arch", default='sm_30',
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choices=['sm_12','sm_13','sm_20','sm_21','sm_30','sm_35','sm_37',
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'sm_50','sm_52','sm_60','sm_61','sm_70','sm_75'],
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help="set GPU architecture and instruction set (default: 'sm_30')")
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parser.add_argument("-p", "--precision", default='mixed', choices=['single','mixed','double'],
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help="set GPU kernel precision mode (default: mixed)")
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parser.add_argument("-e", "--extramake", default='standard',
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help="set EXTRAMAKE variable in Makefile.auto to Makefile.lammps.<extramake>")
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parser.add_argument("-c", "--cuda",
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help="set CUDA_HOME variable in Makefile.auto. Will be used if $CUDA_HOME environment variable is not set")
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parser.add_argument("-o", "--output",
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help="if set, copy final Makefile.auto to Makefile.<output> for later re-use")
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isuffix = "linux"
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hflag = aflag = pflag = eflag = 0
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args = parser.parse_args()
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# print help message and exit, if neither build nor output options are given
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if args.build == False and not args.output:
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parser.print_help()
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sys.exit(help)
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hflag = 0
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eflag = 0
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makeflag = 0
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outflag = 0
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iarg = 0
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while iarg < nargs:
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if args[iarg] == "-m":
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if iarg+2 > nargs: error(help=help)
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isuffix = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-h":
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if iarg+2 > nargs: error(help=help)
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hflag = 1
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hdir = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-a":
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if iarg+2 > nargs: error(help=help)
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aflag = 1
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arch = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-p":
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if iarg+2 > nargs: error(help=help)
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pflag = 1
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precision = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-e":
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if iarg+2 > nargs: error(help=help)
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eflag = 1
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lmpsuffix = args[iarg+1]
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iarg += 2
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elif args[iarg] == "-b":
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makeflag = 1
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iarg += 1
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elif args[iarg] == "-o":
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if iarg+2 > nargs: error(help=help)
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outflag = 1
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osuffix = args[iarg+1]
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iarg += 2
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else: error(help=help)
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if args.build:
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makeflag = 1
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if pflag:
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if precision == "double": precstr = "-D_DOUBLE_DOUBLE"
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elif precision == "mixed": precstr = "-D_SINGLE_DOUBLE"
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elif precision == "single": precstr = "-D_SINGLE_SINGLE"
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else: error("Invalid precision setting")
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isuffix = args.machine
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arch = args.arch
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if args.precision == "double": precstr = "-D_DOUBLE_DOUBLE"
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elif args.precision == "mixed": precstr = "-D_SINGLE_DOUBLE"
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else: precstr = "-D_SINGLE_SINGLE"
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lmpsuffix = args.extramake
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if args.cuda:
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hflag = 1
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hdir = args.cuda
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if args.output:
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outflag = 1
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osuffix = args.output
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# create Makefile.auto
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# reset EXTRAMAKE, CUDA_HOME, CUDA_ARCH, CUDA_PRECISION if requested
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@ -123,9 +102,9 @@ for line in lines:
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if hflag and words[0] == "CUDA_HOME" and words[1] == '=':
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line = line.replace(words[2],hdir)
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if aflag and words[0] == "CUDA_ARCH" and words[1] == '=':
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if words[0] == "CUDA_ARCH" and words[1] == '=':
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line = line.replace(words[2],"-arch=%s" % arch)
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if pflag and words[0] == "CUDA_PRECISION" and words[1] == '=':
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if words[0] == "CUDA_PRECISION" and words[1] == '=':
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line = line.replace(words[2],precstr)
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if eflag and words[0] == "EXTRAMAKE" and words[1] == '=':
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line = line.replace(words[2],"Makefile.lammps.%s" % lmpsuffix)
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@ -158,5 +137,5 @@ if makeflag:
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if outflag:
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print("Creating new Makefile.%s" % osuffix)
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cmd = "cp Makefile.auto Makefile.%s" % osuffix
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subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
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shutil.copyfile("Makefile.auto", "Makefile.%s" % osuffix)
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