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Subject: Re: [OMPI users] MPI can not open file?
From: Jeff Squyres (jsquyres_at_[hidden])
Date: 2009-04-08 15:57:50


On Apr 7, 2009, at 6:05 AM, Bernhard Knapp wrote:

> [bknapp_at_quoVadis04 testSet]$ mpirun -np 8 -machinefile /home/bknapp/
> scripts/machinefile.txt mdrun -np 8 -nice 0 -s
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.tpr -o
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.trr -c
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.pdb -g
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.log -e
> 1fyt_PKYVKQNTLELAT_bindingRegionsOnly.md.edr -v

I don't know anything about gromacs, but is that above command right?

You're using both "mpirun -np 8" *and* "mdrun -np 8" -- are they
supposed to be used together like that?

-- 
Jeff Squyres
Cisco Systems