lammps计算例子过程说明.doc

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1、[lizhao@c0106src]$cd[lizhao@c0106~]$lsexamplesfftw-2.1.5fftw-2.1.5.tar.gzhostslammps-21Oct10lammps.tar.gzmpich-1.2.7p1mpich.tar.gz[lizhao@c0106~]$cdexamples/[lizhao@c0106examples]$lscolloidcrackeimellipsefrictionmeammicellemsstnemdpeptidepourREADMErigidsrdcombdi

2、poleELASTICflowindentmeltminnebobstacleperiprdreaxshearUSER[lizhao@c0106examples]$cdcrack[lizhao@c0106crack]$lsin.cracklog.crack.10Sep10.linux.1log.crack.10Sep10.linux.4[lizhao@c0106crack]$[lizhao@c0106crack]$vihostfile[lizhao@c0106crack]$lsdump.crackhostfilein.

3、cracklog.crack.10Sep10.linux.1log.crack.10Sep10.linux.4log.lammps[lizhao@c0106crack]$lltotal2544-rw-rw-r--1lizhaolizhaoDec1617:48dump.crack-rw-rw-r--1lizhaolizhao12Dec162010hostfile-rw-rw-r--1lizhaolizhao1212Dec1617:40in.crack-rw-rw-r--1lizhaolizhao4608Dec1617:4

4、0log.crack.10Sep10.linux.1-rw-rw-r--1lizhaolizhao4613Dec1617:40log.crack.10Sep10.linux.4-rw-rw-r--1lizhaolizhao4677Dec1617:48log.lammps[lizhao@c0106crack]$cathostfilec0105c0106[lizhao@c0106crack]$mpdallexit[lizhao@c0106crack]$lsdump.crackhostfilein.cracklog.crac

5、k.10Sep10.linux.1log.crack.10Sep10.linux.4log.lammps[lizhao@c0106crack]$mpdboot-n2-fhostfile-rrsh[lizhao@c0106crack]$mpdtracec0106c0105[lizhao@c0106crack]$mpiexec-genvI_MPI_DEVICEssm-perhost2-np4/export/home/lizhao/lammps-21Oct10/src/lmp_mkl

6、码[lizhao@c0106crack]$catin.crack......——生成的代码[lizhao@c0106crack]$morelog.lammps......——生成的代码[lizhao@c0106crack]$lsdump.crackhostfilein.cracklog.crack.10Sep10.linux.1log.crack.10Sep10.linux.4log.lammps[lizhao@c0106crack]$