[gmx-users] another g_tune_pme problem

Albert mailmd2011 at gmail.com
Sun Apr 1 20:01:24 CEST 2012

   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 

thank you very much

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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