Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
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53
lib/gpu/Makefile.linux_multi
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53
lib/gpu/Makefile.linux_multi
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# /* ----------------------------------------------------------------------
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# Generic Linux Makefile for CUDA
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# - Change CUDA_ARCH for your GPU
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# ------------------------------------------------------------------------- */
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.standard
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ifeq ($(CUDA_HOME),)
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CUDA_HOME = /usr/local/cuda
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endif
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NVCC = nvcc
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# Kepler CUDA
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#CUDA_ARCH = -arch=sm_35
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# newer CUDA
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#CUDA_ARCH = -arch=sm_13
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# older CUDA
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#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE
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CUDA_ARCH = -gencode arch=compute_60,code=sm_60 -gencode arch=compute_61,code=sm_61
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# this setting should match LAMMPS Makefile
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# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL
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LMP_INC = -DLAMMPS_SMALLBIG
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# precision for GPU calculations
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# -D_SINGLE_SINGLE # Single precision for all calculations
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# -D_DOUBLE_DOUBLE # Double precision for all calculations
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# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double
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CUDA_PRECISION = -D_SINGLE_DOUBLE
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CUDA_INCLUDE = -I$(CUDA_HOME)/include
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CUDA_LIB = -L$(CUDA_HOME)/lib64
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CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math $(LMP_INC) -Xcompiler "-fPIC -std=c++98"
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CUDR_CPP = mpicxx -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 -fPIC
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CUDR_OPTS = -O2 $(LMP_INC) # -xHost -no-prec-div -ansi-alias
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BIN_DIR = ./
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OBJ_DIR = ./
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LIB_DIR = ./
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AR = ar
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BSH = /bin/sh
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CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
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include Nvidia.makefile_multi
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