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

[Carsten Kutzner]

On Apr 26, 2012, at 11:37 AM, Albert wrote:

> hello:
>  it can find mdrun correctly. and it is only give me the log file as I mentioned in previous thread.
What files are produced by g_tune_pme?
Is there a benchtest.log? Can you cat its contents?

Carsten
> 
> thank you very much
> 
> On 04/26/2012 09:53 AM, Carsten Kutzner wrote:
>> 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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