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
"Take timings for this many steps in the benchmark runs" },
{ "-resetstep", FALSE, etINT, {&presteps},
"Let dlb equilibrate this many steps before timings are taken (reset cycle counters after this many steps)" },
"Take timings for this many steps in the benchmark runs" },
{ "-resetstep", FALSE, etINT, {&presteps},
"Let dlb equilibrate this many steps before timings are taken (reset cycle counters after this many steps)" },
- { "-simsteps", FALSE, etINT64, {&new_sim_nsteps},
+ { "-nsteps", FALSE, etINT64, {&new_sim_nsteps},
"If non-negative, perform this many steps in the real run (overwrites nsteps from [TT].tpr[tt], add [TT].cpt[tt] steps)" },
{ "-launch", FALSE, etBOOL, {&bLaunch},
"Launch the real simulation after optimization" },
"If non-negative, perform this many steps in the real run (overwrites nsteps from [TT].tpr[tt], add [TT].cpt[tt] steps)" },
{ "-launch", FALSE, etBOOL, {&bLaunch},
"Launch the real simulation after optimization" },