#!/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 from __future__ import print_function import sys,os,subprocess # help message help = """ Syntax from src dir: make lib-gpu args="-m machine -h hdir -a arch -p precision -e esuffix -m -o osuffix" Syntax from lib dir: python Install.py -m machine -h hdir -a arch -p precision -e esuffix -m -o osuffix specify one or more options, order does not matter copies an existing Makefile.machine 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 -m = use Makefile.machine as starting point, copy to Makefile.auto default machine = 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 = 20 for Tesla C2050/C2070 (Fermi) (deprecated as of CUDA 8.0) or GeForce GTX 580 or similar use arch = 30 for Tesla K10 (Kepler) use arch = 35 for Tesla K40 (Kepler) or GeForce GTX Titan or similar use arch = 37 for Tesla dual K80 (Kepler) use arch = 60 for Tesla 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 -b = make the GPU library using Makefile.auto first performs a "make clean" then 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="-b" # build GPU lib with default Makefile.linux make lib-gpu args="-m xk7 -p single -o xk7.single" # create new Makefile.xk7.single, altered for single-precision make lib-gpu args="-m mpi -a 35 -p single -o mpi.mixed -b" # create new Makefile.mpi.mixed, also build GPU lib with these settings """ # 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] == "-m": 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] == "-b": 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: fp.write(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) fp.write(line) fp.close() # perform make # make operations copies EXTRAMAKE file to Makefile.lammps if makeflag: print("Building libgpu.a ...") cmd = "rm -f libgpu.a" subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) cmd = "make -f Makefile.auto clean; make -f Makefile.auto" txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True) print(txt.decode('UTF-8')) 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 subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)