[gmx-users] Vacuum simulation in Gromacs 5

[Jan Jirsák]

Hi,

I have one more problem with running this system with thread-MPI
(tested in both 5.0.4 and 5.0.5 on two different machines). When I set
everything as you advised me, it runs, however top command shows only
100% load - i.e., only single CPU is used (and it is really very very
slow), despite log files confirm the desired number of MPI threads was
used.

Thanks, Jan