[gmx-users] how to run g_tune_pme in cluster?
mailmd2011 at gmail.com
Thu Apr 26 11:37:14 CEST 2012
it can find mdrun correctly. and it is only give me the log file as I
mentioned in previous thread.
thank you very much
On 04/26/2012 09:53 AM, Carsten Kutzner wrote:
> what output does g_tune_pme provide? What is in "log" and in
> Can it find the correct mdrun / mpirun executables?
> On Apr 26, 2012, at 9:28 AM, Albert wrote:
>> 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
>> 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
More information about the gromacs.org_gmx-users