[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 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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