[gmx-users] Mpi version of GROMACS - Doubt about its performance

[Shang-Te Danny Hsu]

kill your job and start [mdrun_mpi] again

>> 1. Resubmit your parallel jobs repeatedly until it runs properly 
>> (normally the third time it becomes okay)
>>
> I'm using Red Hat 9.0 with LAM 7.0. . What do you mean with resubmit 
> jobs??? Stop de mdrun(with a ctrl+c) e start it again??? Or another 
> thing???
> Thank's!
> 
> []'s
> 


-- 
Shang-Te Danny HSU
Department of NMR Spectroscopy
Bijvoet Center for Biomolecular Research
Utrecht University
Padualaan 8, 3584 CH Utrecht, the Netherlands
phone: +31-30-2539931 | fax: +31-30-2537623
e-mail: hsu at nmr.chem.uu.nl