[gmx-users] how to run g_tune_pme in cluster?

Carsten Kutzner ckutzne at gwdg.de
Thu Apr 26 09:53:57 CEST 2012


Hi,

what output does g_tune_pme provide? What is in "log" and in
"perf.out"?
Can it find the correct mdrun / mpirun executables?

Carsten


On Apr 26, 2012, at 9:28 AM, Albert wrote:

> Hello:
>  Does anybody have any idea how to run g_tune_pme in a cluster? I tried many times with following command:
> 
> g_tune_pme_d -v -s npt_01.tpr -o npt_01.trr -cpo npt_01.cpt -g npt_01.log -launch -nt 24 > log &
> 
> but it always failed.
> 
> 
> Option       Type   Value   Description
> ------------------------------------------------------
> -[no]h       bool   no      Print help info and quit
> -[[CUDANodeA:03384] [[60523,1],22] ORTE_ERROR_LOG: A message is attempting to be sent to a process whose contact information is unknown in file rml_oob_send.c at line 105
> [CUDANodeA:03384] [[60523,1],22] could not get route to [[INVALID],INVALID]
> [CUDANodeA:03384] [[60523,1],22] ORTE_ERROR_LOG: A message is attempting to be sent to a process whose contact information is unknown in file base/plm_base_proxy.c at line 86
> 
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