[gmx-users] another g_tune_pme problem

Carsten Kutzner ckutzne at gwdg.de
Mon Apr 2 09:51:40 CEST 2012


On Apr 1, 2012, at 8:01 PM, Albert wrote:

> Hello:
>   I am trying to test g_tune_pme in workstation by command:
> 
> g_tune_pme_d -v -s md.tpr -o bm.trr -cpi md.cpt -cpo bm.cpt -g bm.log -launch -nt 16 &
> 
> but it stopped immediately with following logs. I complied gromacs with a -d in each module such as mdrun_d and I aliased mdrun_d to mdrun in the shell. However, my g_tune_pme still claimed that it cannot execute md_run..
Hi,

so what does benchtest.log say?

Carsten

> 
> thank you very much
> 
> 
> ----------log--------------
> back Off! I just backed up perf.out to ./#perf.out.5#
> Will test 3 tpr files.
> Will try runs with 4 - 8 PME-only nodes.
>   Note that the automatic number of PME-only nodes and no separate PME nodes are always tested.
> 
> Back Off! I just backed up benchtest.log to ./#benchtest.log.5#
> 
> -------------------------------------------------------
> Program g_tune_pme_d, VERSION 4.5.5
> Source code file: gmx_tune_pme.c, line: 631
> 
> Fatal error:
> Cannot execute mdrun. Please check benchtest.log for problems!
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 
> "Once Again Let Me Do This" (Urban Dance Squad)
> 
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