lammps安裝步驟詳解(參考版)
2025-01-10 11:56本頁面
【正文】 then . /etc/bashrc fi expot PATH=/opt/mpich/bin:$PATH export LD_LIBRARY_PATH=/opt/mpich/lib:/opt/fftw/lib:$LD_LIBRARY_PATH 3 安裝 lammps cd /mnt gunzip tar xvf mv lammps5Dec10 lmp cd /lmp/src make yesall make nogpu make nouseratc (幾個(gè)特殊的 package:meam,poems,reax,gpu,useratc 需要特別安裝，如下 ) cd /mnt/lmp/lib/meam ls make –f (安裝 meam) cd /mnt/lmp/lib/poems ls make –f ++ cd /mnt/lmp/lib/reax ls make –f (然后對 ) cd /mnt/lmp/src/MAKE vi (按下 i可修改 ) g++ = RedHat Linux box, g++4, gfortran, MPICH2, FFTW SHELL = /bin/sh piler/linker settings specify flags and libraries needed for your piler CC = g++4 g++4改為 mpic++ CCFLAGS = g O DEPFLAGS = M LINK = g++4 g++4改為 mpic++ LINKFLAGS = g O LIB = ARCHIVE = ar ARFLAGS = rc SIZE = size LAMMPSspecific settings
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