Dear Amber users,
when I tried to calculate the binding energy
using the cluster, the job is killed. And when I checked the job file,
I found the errors as follows:
=>> PBS: job killed: per node vmem 2254180kb exceeded limit 2048000kb
I performed the gb and PB on 100 frames. Do you have any idea?
Thanks!
Rilei Yu
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Received on Thu Apr 08 2010 - 04:30:02 PDT
