Antw: [gmx-users] gmx3.2.1 - alpha cluster

Nuno Ricardo Loureiro Ferreira nunolf at
Fri Apr 9 15:09:01 CEST 2004

Peter Friedel <friedel at> 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?
> peter

Hello Peter

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?

Best regards,

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