[gmx-users] execution of water tutorial files on BG/L
fujisaki at bu.edu
Thu Sep 21 02:08:29 CEST 2006
Dear Gromacs users,
After installing fftw-3.1.2 and gromacs itself on our
BlueGene facility, I am testing the tutorial
files, but I fail when I try all of them. For example,
for the water case (.../share/gromacs/tutor/water),
"grompp -v" seems to work, but "mdrun -v" suddenly
stops with the following message
I've never experienced this when I use gromacs in
a linux machine. Could you suggest something?
The gromacs was compiled with a single precision
and single CPU version.
I appreciate your help.
Hiroshi Fujisaki <fujisaki at bu.edu>
More information about the gromacs.org_gmx-users