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

[Carsten Kutzner]

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
> 
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists