[gmx-users] running gromacs in parallel, and with nice levels
mariagoranovic at gmail.com
Thu Oct 4 17:50:11 CEST 2007
- So I "think" I succeeded in running gromacs on a 4-core node. How does one
confirm this without looking at the speed. i.e, where is it mentioned in the
log file what the number of processors is ? I do get 4 different log files
for 4 processors, is that the final evidence ?
- The nice level by default is too high (19). One can change this by
compiling mdrun with a nonice option. However, does it really matter if one
is running gromacs on a dedicated supercomputing node ? Also, one can change
the nice level by -nice in the mdrun command. So, in principle, there is no
need to recompile mdrun ?
Thank you so very much for the inputs,
Technical University of Denmark
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