lammps计算例子过程说明 |
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[lizhao@c0106 src]$ cd [lizhao@c0106 ~]$ ls examples fftw-2.1.5 fftw-2.1.5.tar.gz hosts lammps-21Oct10 lammps.tar.gz mpich-1.2.7p1 mpich.tar.gz [lizhao@c0106 ~]$ cd examples/ [lizhao@c0106 examples]$ ls colloid crack eim ellipse friction meam micelle msst nemd peptide pour README rigid srd comb dipole ELASTIC flow indent melt min neb obstacle peri prd reax shear USER [lizhao@c0106 examples]$ cd crack [lizhao@c0106 crack]$ ls in.crack log.crack.10Sep10.linux.1 log.crack.10Sep10.linux.4 [lizhao@c0106 crack]$ [lizhao@c0106 crack]$ vi hostfile [lizhao@c0106 crack]$ ls dump.crack hostfile in.crack log.crack.10Sep10.linux.1 log.crack.10Sep10.linux.4 log.lammps [lizhao@c0106 crack]$ ll total 2544 -rw-rw-r-- 1 lizhao lizhao 2564431 Dec 16 17:48 dump.crack -rw-rw-r-- 1 lizhao lizhao 12 Dec 16 2010 hostfile -rw-rw-r-- 1 lizhao lizhao 1212 Dec 16 17:40 in.crack -rw-rw-r-- 1 lizhao lizhao 4608 Dec 16 17:40 log.crack.10Sep10.linux.1 -rw-rw-r-- 1 lizhao lizhao 4613 Dec 16 17:40 log.crack.10Sep10.linux.4 -rw-rw-r-- 1 lizhao lizhao 4677 Dec 16 17:48 log.lammps [lizhao@c0106 crack]$ cat hostfile c0105 c0106 [lizhao@c0106 crack]$ mpdallexit [lizhao@c0106 crack]$ ls dump.crack hostfile in.crack log.crack.10Sep10.linux.1 log.crack.10Sep10.linux.4 log.lammps [lizhao@c0106 crack]$ mpdboot -n 2 -f hostfile -r rsh [lizhao@c0106 crack]$ mpdtrace c0106 c0105 [lizhao@c0106 crack]$ mpiexec -genv I_MPI_DEVICE ssm -perhost 2 -np 4 /export/home/lizhao/lammps-21Oct10/src/lmp_mkl . . . . . . ——生成的代码 [lizhao@c0106 crack]$ cat in.crack 上一页下一页 |
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