[gmx-users] Suggestion for g_tune_pme
Jim Kress
jimkress_58 at kressworks.org
Tue Jun 9 01:20:14 CEST 2009
A small suggested change to g_tune_pme. Allowing the specification of the
executable on all the nodes would be appreciated since I (at least) follow
the suggestion in the installation directions and suffix my parallel version
of mdrun with _mpi, so the executable is mdrun_mpi, not mdrun.
You might also want to point out, in the documentation, that one can include
the normal mpi commands in the g_tune_pme command. For example,
./g_tune_pme -np 24 -hostfile ethfile24 -s cpeptide_md_PME.tpr works just
fine.
Jim
More information about the gromacs.org_gmx-users
mailing list