tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

rework Install.py for gpu library. make it consistent with other lib folders and support python3

Browse Source
This commit is contained in:
Axel Kohlmeyer
2017-08-08 16:57:27 -04:00
parent c53a84a967
commit 30431d4edb
9 changed files with 64 additions and 114 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
lib/gpu/.gitignore vendored
View File

@ -1,4 +1,6 @@
obj
obj_ocl
ocl_get_devices
nvc_get_devices
/obj
/obj_ocl
/ocl_get_devices
/nvc_get_devices
/*.cubin
/*_cubin.h

58
lib/gpu/Install.py
View File

@ -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":
@ -117,9 +121,9 @@ 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] == '=':
line = line.replace(words[2],hdir)
if aflag and words[0] == "CUDA_ARCH" and words[1] == '=':
@ -128,20 +132,20 @@ for line in lines:
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.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)

2
lib/gpu/Makefile.linux
View File

@ -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 = ./

17
lib/gpu/Makefile.mingw32-cross
View File

@ -1,17 +0,0 @@
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

19
lib/gpu/Makefile.mingw32-cross-mpi
View File

@ -1,19 +0,0 @@
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

18
lib/gpu/Makefile.mingw64-cross
View File

@ -1,18 +0,0 @@
CUDA_HOME = ../../tools/mingw-cross/OpenCL
OCL_CPP = x86_64-w64-mingw32-g++ -O3 -march=core2 -mtune=core2 -mpc64 \
-msse2 -DMPI_GERYON -DUCL_NO_EXIT -I../../src/STUBS \
-I$(CUDA_HOME)/include
OCL_LINK = -static -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw64 -Wl,-Bdynamic,-lOpenCL,-Bstatic \
-L../../src/STUBS -lmpi_mingw64
OCL_PREC = -D_SINGLE_DOUBLE
OCL_TUNE = -DFERMI_OCL
EXTRAMAKE = Makefile.lammps.mingw-cross
BIN_DIR = Obj_mingw64
OBJ_DIR = Obj_mingw64
LIB_DIR = Obj_mingw64
AR = x86_64-w64-mingw32-ar
BSH = /bin/sh
include Opencl.makefile

20
lib/gpu/Makefile.mingw64-cross-mpi
View File

@ -1,20 +0,0 @@
CUDA_HOME = ../../tools/mingw-cross/OpenCL
OCL_CPP = x86_64-w64-mingw32-g++ -O3 -march=core2 -mtune=core2 -mpc64 \
-msse2 -DMPI_GERYON -DUCL_NO_EXIT -I$(CUDA_HOME)/include \
-I../../tools/mingw-cross/mpich2-win64/include/ \
-DMPICH_IGNORE_CXX_SEEK
OCL_LINK = -static -Wl,--enable-stdcall-fixup -L$(CUDA_HOME)/../Obj_mingw64 -Wl,-Bdynamic,-lOpenCL,-Bstatic \
-L../../tools/mingw-cross/mpich2-win64/lib -lmpi
OCL_PREC = -D_SINGLE_DOUBLE
OCL_TUNE = -DFERMI_OCL
EXTRAMAKE = Makefile.lammps.mingw-cross
BIN_DIR = Obj_mingw64-mpi
OBJ_DIR = Obj_mingw64-mpi
LIB_DIR = Obj_mingw64-mpi
AR = x86_64-w64-mingw32-ar
BSH = /bin/sh
include Opencl.makefile

1
lib/gpu/Makefile.mpi Symbolic link
View File

@ -0,0 +1 @@
Makefile.linux

33
lib/gpu/Makefile.serial
View File

@ -1,5 +1,5 @@
# /* ----------------------------------------------------------------------
# Generic Makefile for CUDA using MPI STUBS library
# Generic Linux Makefile for CUDA
# - Change CUDA_ARCH for your GPU
# ------------------------------------------------------------------------- */
@ -7,23 +7,38 @@
EXTRAMAKE = Makefile.lammps.standard
CUDA_HOME = $(HOME)/cuda
ifeq ($(CUDA_HOME),)
CUDA_HOME = /usr/local/cuda
endif
NVCC = nvcc
# Tesla CUDA
CUDA_ARCH = -arch=sm_20
CUDA_ARCH = -arch=sm_21
# newer CUDA
#CUDA_ARCH = -arch=sm_13
# older CUDA
#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
CUDA_ARCH = -arch=sm_35
# this setting should match LAMMPS Makefile
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
LMP_INC = -DLAMMPS_SMALLBIG
# precision for GPU calculations
# -D_SINGLE_SINGLE # Single precision for all calculations
# -D_DOUBLE_DOUBLE # Double precision for all calculations
# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
CUDA_PRECISION = -D_SINGLE_DOUBLE
CUDA_INCLUDE = -I$(CUDA_HOME)/include
CUDA_LIB = -L$(CUDA_HOME)/lib64 -L../../src/STUBS -lmpi
CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math
CUDR_CPP = g++ -DMPI_GERYON -DUCL_NO_EXIT -I../../src/STUBS
CUDR_OPTS = -O2
CUDA_INCLUDE = -I$(CUDA_HOME)/include
CUDA_LIB = -L$(CUDA_HOME)/lib64 -L../../src/STUBS -lmpi_stubs
CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math $(LMP_INC)
CUDR_CPP = g++ -DMPI_GERYON -DUCL_NO_EXIT -fPIC -I../../src/STUBS
CUDR_OPTS = -O2 $(LMP_INC) # -xHost -no-prec-div -ansi-alias
BIN_DIR = ./
OBJ_DIR = ./
@ -31,5 +46,7 @@ LIB_DIR = ./
AR = ar
BSH = /bin/sh
CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
include Nvidia.makefile