Antw: [gmx-users] gmx3.2.1 - alpha cluster
Nuno Ricardo Loureiro Ferreira
nunolf at ci.uc.pt
Fri Apr 9 15:09:01 CEST 2004
Peter Friedel <friedel at ipfdd.de> escreveu:
> hi, nuno,
> may be my answer is very stupid, but in my experience the grompp has to be
run also for two nodes. i have tested runs on 4 nodes with success. if you are
interested i would unzip the corresponding tar files. okay?
Posting my reply twice, after domain failure.
I run grompp for 2 nodes. This is confirmed by the error I get:
> Fatal error: run input file topol.tpr was made for 2 nodes,
> while mdrun_mpi expected it to be for 1 nodes.
Did not quiet understood what you meant by "unzip the corresponding tar files".
Are you offering help to test my benchmark .tpr in your alpha cluster, that's it?
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