[gmx-users] g_tune_pme crashes in 5.0.1

Oliver Schillinger o.schillinger at fz-juelich.de
Mon Sep 15 15:54:19 CEST 2014

I was using g_tune_pme successfully with the 4.6.* branch.
Now I switched to 5.0.1 and g_tune_pme keeps crashing.

perf.out (default filenames used) says:
Cannot run the benchmark simulations! Please check the error message of
mdrun for the source of the problem. Did you provide a command line
argument that neither g_tune_pme nor mdrun understands? Offending command:
mpiexec -np 24 mdrun_mpi -npme 7 -s 04_prod01_bench00.tpr -resetstep 100 
-o bench.trr -x bench.xtc -cpo bench.cpt -c bench.gro -e bench.edr -g 
bench.log  -nsteps 1 -quiet

bench.log contains only output of the first benchmark run with the error 
Fatal error:
The number of ranks you selected (17) contains a large prime factor 17.

The problem seems to me that the second run does not get started at all, 
but the program terminates after the first unsuccessful benchmark.

Am I alone with this problem?


Oliver Schillinger
PhD student

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