[gmx-users] outputs from parallel jobs

Lubos Vrbka lubos.vrbka at gmail.com
Tue Dec 6 13:49:22 CET 2005


hi guys,

i want to run parallel gromacs on a cluster with myrinet interconnection 
(dual processor nodes). i have to have all inputs/outputs on /scratch 
that is separate for every node. the problem is that gromacs writes 
separate log files for every processor on its node. this brings the 
problem how to populate the directories to every node of my calculation 
and then how to gather them together.

it can be done, but... is there any way how to avoid this? i.e., how to 
put all logfiles into the same directory on the master node, or to 
single file?

thanks for any hints. regards,

-- 
Lubos
_ at _"



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