[gmx-users] gromacs on IBM Power 5 Linux Machine: Preprocessor problem
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jun 14 14:15:11 CEST 2007
Monika Sharma wrote:
> I am using Gromacs3.3 version, and I was trying grompp for energy
> minimization, which is not working. Even the mdrun didnt work. The same
> file seems to work properly on simple Fedora linux PC, but not on IBM
> Power linux. Dont know then what the problem is??
>
could it be that your nodes do not have cpp installed? You can make a
tpr file on yourlinux box and cp that to the ibm nodes.
--
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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