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Lammps-安装步骤详解.doc

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Lammps-安装步骤详解.doc

上传人:儒林 2022/7/20 文件大小:1.31 MB

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Lammps-安装步骤详解.doc

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文档介绍:Lammps-安装步骤详解
一 lamps非并行安装
1 在终端输入:
cd /mnt
( (cp /home/lab/Desktop/ /ARFLAGS =    -rc
SIZE =        size
# ---------------------------------------------------------------------
# LAMMPS-specific settings
# specify settings for LAMMPS features you will use
# LAMMPS ifdef options, see doc/
LMP_INC =    -DLAMMPS_GZIP
# MPI library, can be src/STUBS dummy lib
# INC = path for , MPI compiler settings
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC =      -I/opt/mpich/include -DMPICH_SKIP_MPICXX
MPI_PATH = -I/opt/mpich/lib
MPI_LIB =    /opt/mpich/lib/ #-lmpich -lpthread
# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
# PATH = path for FFT library
# LIB = name of FFT library
FFT_INC =      
-I/opt/fftw/include -DFFT_FFTW
FFT_PATH = -I/opt/ffte/lib
FFT_LIB =    /opt/fftw/ #-lfftw
# additional system libraries needed by LAMMPS package libraries
# these settings are IGNORED if the corresponding LAMMPS package
#   (. gpu, meam) is NOT included in the LAMMPS build
# SYSLIB = names of libraries
# SYSPATH = paths of libraries
gpu_SYSLIB =       -lcudart
meam_SYSLIB =      -lmeam –lgfortran
poems_SYSLIB= -lpoems -lgfortran
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