| commit | 7025864f5ca8c39b08d0dba48bbdd38f4fa1fc2c | |
| author | Carsten Kutzner <ckutzne@gwdg.de> | |
| Wed, 3 Dec 2014 10:34:38 +0000 (3 11:34 +0100) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Tue, 9 Dec 2014 12:20:52 +0000 (9 13:20 +0100) | ||
| tree | 06a183b6ced73b3824d7a1157c464f09623fa288 | treesnapshot (tar.gz zip) |
| parent | d6397b67eaf867e774ba0dfda49795ced8872f43 | commitdiff |
Make tune_pme understand the "-nsteps" option. Fixes #1650
All command line arguments that tune_pme does not understand are passed over
to mdrun. For a quick sanity check the mdrun options are used together with the
additional option "-nsteps 1", which then appears twice on the command line.
The solution is to let tune_pme understand the "-nsteps" argument, so that it
only occurs on the mdrun command line at launch time. The option for that was
already there but before called "-simsteps".
Change-Id: I8362ced75e67b0e28b4a5e1bd427ae6ae4e0e758
All command line arguments that tune_pme does not understand are passed over
to mdrun. For a quick sanity check the mdrun options are used together with the
additional option "-nsteps 1", which then appears twice on the command line.
The solution is to let tune_pme understand the "-nsteps" argument, so that it
only occurs on the mdrun command line at launch time. The option for that was
already there but before called "-simsteps".
Change-Id: I8362ced75e67b0e28b4a5e1bd427ae6ae4e0e758
| src/gromacs/gmxana/gmx_tune_pme.c | diffblobblamehistory |