[gmx-users] Re: Running Gromacs in Clusters

Marcelo Depolo marcelodepolo at gmail.com
Wed Nov 7 23:24:16 CET 2012


I thought that at first, but other softwares run in parallel. If there's a
problem, it' s somehow in the PBS.

My guess is that my PBS don't allow the LAM library "see" others nodes. But
I have no clue where the problem could be.
I've tried eliminating the "node=X" and got the error. I've tried use
"node=2" (or any number higher than 1) and it goes to the queue even if
there is empty nodes.

I'm almost trying to compile gromacs again but now with OpemMPI...
-- 
Marcelo Depólo



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