Re: AMBER: How to create a parallel job for amber 8?

From: Shulin Zhuang <>
Date: Sat, 14 May 2005 21:45:54 +0800

Please use MPI:
runing at cluster using 4 cpu .
command such as

mpirun_rsh -np 4 -hostfile /.../.../machines sander -O -i -o
2npt.out -p mfi.prmtop -c npt.restrt -r 2npt.restrt -x 2npt.mdcrd
-inf 2npt.mdinfo&

you should build a file named machines in this case to specify the cpu.

Please refer to MPI relevant knowledge.
   Shulin Zhuang
Chemistry Department 
Zhejiang University PRC
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Received on Sat May 14 2005 - 14:53:00 PDT
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