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

Albert mailmd2011 at gmail.com
Thu Apr 26 09:28:12 CEST 2012


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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