forked from lijiext/lammps
150 lines
5.0 KiB
Python
150 lines
5.0 KiB
Python
#!/usr/bin/env python
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"""
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Install.py tool to build the GPU library
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used to automate the steps described in the README file in this dir
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"""
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from __future__ import print_function
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import sys, os, subprocess, shutil
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from argparse import ArgumentParser
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sys.path.append('..')
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from install_helpers import get_cpus
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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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HELP = """
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Syntax from src dir: make lib-gpu args="-m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix"
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Syntax from lib dir: python Install.py -m machine -h hdir -a arch -p precision -e esuffix -b -o osuffix
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specify one or more options, order does not matter
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copies an existing Makefile.machine in lib/gpu to Makefile.auto
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optionally edits these variables in Makefile.auto:
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CUDA_HOME, CUDA_ARCH, CUDA_PRECISION, EXTRAMAKE
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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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See lib/gpu/README and the LAMMPS manual for more information
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on which settings to use and how to build.
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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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make lib-gpu args="-m xk7 -p single -o xk7.single" # create new Makefile.xk7.single, altered for single-precision
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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 and process arguments
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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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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 not args.build 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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if args.build:
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makeflag = 1
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isuffix = args.machine
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arch = args.arch
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if args.precision == "double":
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precstr = "-D_DOUBLE_DOUBLE"
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elif args.precision == "mixed":
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precstr = "-D_SINGLE_DOUBLE"
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else:
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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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if not os.path.exists("Makefile.%s" % isuffix):
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sys.exit("lib/gpu/Makefile.%s does not exist" % isuffix)
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lines = open("Makefile.%s" % isuffix, 'r').readlines()
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fp = open("Makefile.auto", 'w')
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for line in lines:
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words = line.split()
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if len(words) != 3:
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fp.write(line)
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continue
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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 words[0] == "CUDA_ARCH" and words[1] == '=':
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line = line.replace(words[2], "-arch=%s" % arch)
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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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fp.write(line)
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fp.close()
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# perform make
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# make operations copies EXTRAMAKE file to Makefile.lammps
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if makeflag:
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print("Building libgpu.a ...")
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if os.path.exists("libgpu.a"):
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os.remove("libgpu.a")
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n_cpus = get_cpus()
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cmd = "make -f Makefile.auto clean; make -f Makefile.auto -j%d" % n_cpus
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try:
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txt = subprocess.check_output(cmd, stderr=subprocess.STDOUT, shell=True)
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print(txt.decode('UTF-8'))
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except subprocess.CalledProcessError as e:
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print("Make failed with:\n %s" % e.output.decode('UTF-8'))
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sys.exit(1)
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if not os.path.exists("libgpu.a"):
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sys.exit("Build of lib/gpu/libgpu.a was NOT successful")
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if not os.path.exists("Makefile.lammps"):
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sys.exit("lib/gpu/Makefile.lammps was NOT created")
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# copy new Makefile.auto to Makefile.osuffix
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if outflag:
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print("Creating new Makefile.%s" % osuffix)
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shutil.copyfile("Makefile.auto", "Makefile.%s" % osuffix)
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