rework Install.py for gpu library. make it consistent with other lib folders and support python3 (30431d4e) · Commits · 郑智淋 / lammps

lib/gpu/.gitignore

+6 −4

Original line number	Diff line number	Diff line
		obj
		obj_ocl
		ocl_get_devices
		nvc_get_devices
		/obj
		/obj_ocl
		/ocl_get_devices
		/nvc_get_devices
		/*.cubin
		/*_cubin.h

lib/gpu/Install.py

+31 −27

Original line number	Diff line number	Diff line
		@@ -3,53 +3,57 @@
		# 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
		from __future__ import print_function
		import sys,os,subprocess

		# 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
		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.isuffix in lib/gpu to Makefile.auto
		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

		-i = use Makefile.isuffix as starting point, copy to Makefile.auto
		default isuffix = linux
		-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 = ?? for K40 (Tesla)
		use arch = 37 for dual K80 (Tesla)
		use arch = 60 for P100 (Pascal)
		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
		-m = make the GPU library using Makefile.auto
		-b = make the GPU library using Makefile.auto
		first performs a "make clean"
		produces libgpu.a if successful
		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="-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
		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
		if not str: print(help)
		else: print("ERROR",str)
		sys.exit()

		# parse args
		@@ -65,7 +69,7 @@ outflag = 0

		iarg = 0
		while iarg < nargs:
		if args[iarg] == "-i":
		if args[iarg] == "-m":
		if iarg+2 > nargs: error()
		isuffix = args[iarg+1]
		iarg += 2
		@@ -89,7 +93,7 @@ while iarg < nargs:
		eflag = 1
		lmpsuffix = args[iarg+1]
		iarg += 2
		elif args[iarg] == "-m":
		elif args[iarg] == "-b":
		makeflag = 1
		iarg += 1
		elif args[iarg] == "-o":
		@@ -117,7 +121,7 @@ fp = open("Makefile.auto",'w')
		for line in lines:
		words = line.split()
		if len(words) != 3:
		print >>fp,line,
		fp.write(line)
		continue

		if hflag and words[0] == "CUDA_HOME" and words[1] == '=':
		@@ -129,19 +133,19 @@ for line in lines:
		if eflag and words[0] == "EXTRAMAKE" and words[1] == '=':
		line = line.replace(words[2],"Makefile.lammps.%s" % lmpsuffix)

		print >>fp,line,

		fp.write(line)
		fp.close()

		# perform make
		# make operations copies EXTRAMAKE file to Makefile.lammps

		if makeflag:
		print "Building libgpu.a ..."
		print("Building libgpu.a ...")
		cmd = "rm -f libgpu.a"
		commands.getoutput(cmd)
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
		cmd = "make -f Makefile.auto clean; make -f Makefile.auto"
		commands.getoutput(cmd)
		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"):
		@@ -150,6 +154,6 @@ if makeflag:
		# copy new Makefile.auto to Makefile.osuffix

		if outflag:
		print "Creating new Makefile.%s" % osuffix
		print("Creating new Makefile.%s" % osuffix)
		cmd = "cp Makefile.auto Makefile.%s" % osuffix
		commands.getoutput(cmd)
		subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)

lib/gpu/Makefile.linux

+1 −1

Original line number	Diff line number	Diff line
		@@ -37,7 +37,7 @@ CUDA_INCLUDE = -I$(CUDA_HOME)/include
		CUDA_LIB = -L$(CUDA_HOME)/lib64
		CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math $(LMP_INC)

		CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC
		CUDR_CPP = mpicxx -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC
		CUDR_OPTS = -O2 $(LMP_INC) # -xHost -no-prec-div -ansi-alias

		BIN_DIR = ./

lib/gpu/Makefile.mingw32-cross

deleted100644 → 0

+0 −17

Original line number	Diff line number	Diff line
		CUDA_HOME = ../../tools/mingw-cross/OpenCL

		OCL_CPP = i686-w64-mingw32-g++ -O2 -march=i686 -mtune=generic -mfpmath=387 \
		-mpc64 -DMPI_GERYON -DUCL_NO_EXIT -I../../src/STUBS \
		-I$(CUDA_HOME)/include
		OCL_LINK = -static -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw32 -Wl,-Bdynamic,-lOpenCL,-Bstatic -L../../src/STUBS -lmpi_mingw32
		OCL_PREC = -D_SINGLE_DOUBLE
		OCL_TUNE = -DFERMI_OCL
		EXTRAMAKE = Makefile.lammps.mingw-cross

		BIN_DIR = Obj_mingw32
		OBJ_DIR = Obj_mingw32
		LIB_DIR = Obj_mingw32
		AR = i686-w64-mingw32-ar
		BSH = /bin/sh

		include Opencl.makefile

lib/gpu/Makefile.mingw32-cross-mpi

deleted100644 → 0

+0 −19

Original line number	Diff line number	Diff line
		CUDA_HOME = ../../tools/mingw-cross/OpenCL

		OCL_CPP = i686-w64-mingw32-g++ -O2 -march=i686 -mtune=generic -mfpmath=387 \
		-mpc64 -DMPI_GERYON -DUCL_NO_EXIT -I$(CUDA_HOME)/include \
		-I../../tools/mingw-cross/mpich2-win32/include/ \
		-DMPICH_IGNORE_CXX_SEEK
		OCL_LINK = -static -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw32 -Wl,-Bdynamic,-lOpenCL,-Bstatic \
		-L../../tools/mingw-cross/mpich2-win32/lib -lmpi
		OCL_PREC = -D_SINGLE_DOUBLE
		OCL_TUNE = -DFERMI_OCL
		EXTRAMAKE = Makefile.lammps.mingw-cross

		BIN_DIR = Obj_mingw32-mpi
		OBJ_DIR = Obj_mingw32-mpi
		LIB_DIR = Obj_mingw32-mpi
		AR = i686-w64-mingw32-ar
		BSH = /bin/sh

		include Opencl.makefile

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