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

[David van der Spoel]

Dongsheng Zhang wrote:
> 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

you need replica0 and replica1.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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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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