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Added back Makefile.mpi in lib/gpu/ to be consistent with documentation; updated Makefile.*; and removed the unnecessary Makefile.turing

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This commit is contained in:
Trung Nguyen
2021-12-27 00:14:04 -06:00
parent b39d1993bb
commit 6357f19260
6 changed files with 69 additions and 47 deletions
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2
lib/gpu/Makefile.cuda_mps
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@ -1,5 +1,5 @@
# /* ----------------------------------------------------------------------
# Generic Linux Makefile for CUDA
# Generic Linux Makefile for CUDA with the Multi-Process Service (MPS)
# - change CUDA_ARCH for your GPU
# ------------------------------------------------------------------------- */

4
lib/gpu/Makefile.linux_multi
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@ -1,6 +1,6 @@
# /* ----------------------------------------------------------------------
# Generic Linux Makefile for CUDA
# - Change CUDA_ARCH for your GPU
# Generic Linux Makefile for CUDA complied for multiple compute capabilities
# - Add your GPU to CUDA_CODE
# ------------------------------------------------------------------------- */
# which file will be copied to Makefile.lammps

59
lib/gpu/Makefile.mpi Normal file
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@ -0,0 +1,59 @@
# /* ----------------------------------------------------------------------
# Generic Linux Makefile for CUDA
# - Change CUDA_ARCH for your GPU
# ------------------------------------------------------------------------- */
# which file will be copied to Makefile.lammps
EXTRAMAKE = Makefile.lammps.standard
ifeq ($(CUDA_HOME),)
CUDA_HOME = /usr/local/cuda
endif
NVCC = nvcc
# Pascal hardware
CUDA_ARCH = -arch=sm_60
#CUDA_ARCH = -arch=sm_61
# Volta hardware
#CUDA_ARCH = -arch=sm_70
# Turing hardware
#CUDA_ARCH = -arch=sm_75
# Ampere hardware
#CUDA_ARCH = -arch=sm_80
#CUDA_ARCH = -arch=sm_86
# this setting should match LAMMPS Makefile
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
LMP_INC = -DLAMMPS_SMALLBIG
# precision for GPU calculations
# -D_SINGLE_SINGLE # Single precision for all calculations
# -D_DOUBLE_DOUBLE # Double precision for all calculations
# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
CUDA_PRECISION = -D_SINGLE_DOUBLE
CUDA_INCLUDE = -I$(CUDA_HOME)/include
CUDA_LIB = -L$(CUDA_HOME)/lib64 -L$(CUDA_HOME)/lib64/stubs
CUDA_OPTS = -DUNIX -O3 --use_fast_math $(LMP_INC) -Xcompiler -fPIC
CUDR_CPP = mpicxx -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC -std=c++11
CUDR_OPTS = -O2 $(LMP_INC) # -xHost -no-prec-div -ansi-alias
BIN_DIR = ./
OBJ_DIR = ./
LIB_DIR = ./
AR = ar
BSH = /bin/sh
# GPU binning not recommended for most modern GPUs
CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini
include Nvidia.makefile

26
lib/gpu/Makefile.serial
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@ -1,5 +1,5 @@
# /* ----------------------------------------------------------------------
# Generic Linux Makefile for CUDA
# Generic Linux Makefile for CUDA without MPI libraries
# - Change CUDA_ARCH for your GPU
# ------------------------------------------------------------------------- */
@ -13,26 +13,8 @@ endif
NVCC = nvcc
# obsolete hardware. not supported by current drivers anymore.
#CUDA_ARCH = -arch=sm_13
#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
# Fermi hardware
#CUDA_ARCH = -arch=sm_20
#CUDA_ARCH = -arch=sm_21
# Kepler hardware
#CUDA_ARCH = -arch=sm_30
#CUDA_ARCH = -arch=sm_32
#CUDA_ARCH = -arch=sm_35
#CUDA_ARCH = -arch=sm_37
# Maxwell hardware
CUDA_ARCH = -arch=sm_50
#CUDA_ARCH = -arch=sm_52
# Pascal hardware
#CUDA_ARCH = -arch=sm_60
CUDA_ARCH = -arch=sm_60
#CUDA_ARCH = -arch=sm_61
# Volta hardware
@ -41,6 +23,10 @@ CUDA_ARCH = -arch=sm_50
# Turing hardware
#CUDA_ARCH = -arch=sm_75
# Ampere hardware
#CUDA_ARCH = -arch=sm_80
#CUDA_ARCH = -arch=sm_86
# this setting should match LAMMPS Makefile
# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL

23
lib/gpu/Makefile.turing
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@ -1,23 +0,0 @@
NVCC = $(CUDA_HOME)/bin/nvcc
EXTRAMAKE = Makefile.lammps.standard
CUDA_ARCH = -arch=sm_75
CUDA_PRECISION = -D_SINGLE_DOUBLE
CUDA_INCLUDE = -I$(CUDA_HOME)/include
CUDA_LIB = -L$(CUDA_HOME)/lib64 -Xlinker -rpath -Xlinker $(CUDA_HOME)/lib64 -lcudart
CUDA_OPTS = -DUNIX -O3 --use_fast_math --ftz=true
CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -I$(CUDA_HOME)/include
CUDR_OPTS = -O3 -ffast-math -funroll-loops -DMPI_GERYON -DLAMMPS_SMALLBIG
BIN_DIR = .
OBJ_DIR = obj
LIB_DIR = .
AR = ar
BSH = /bin/sh
# GPU binning not recommended with most modern GPUs
CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini
include Nvidia.makefile