[gmx-users] REMD in one nodes with two processors

Dongsheng Zhang dong at pampas.chem.purdue.edu
Thu May 4 17:20:22 CEST 2006


Dear gmx users,

I have trouble to run REMD on one node with two processors. The command
I used is
/home/brasilia/dong/mdrun_mpi -np 2 -replex 500 -reseed -1 -multi -s
replica -deffnm replica -N 2 -v >& zevel

the error message is:

Can not open file:
replica.tpr


This error message looks strange to me. Because I have used -multi, the
program should look for replica0.tpr and replica1.tpr. Could anyone
point out what's wrong in my command?


Thank you in advance!


Dongsheng



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