[gmx-users] replica exchange

rob yang nextgame at hotmail.com
Thu Nov 3 17:10:08 CET 2005

hello again,
still hacking away at RE. so i got it to run for a while and then it died 
with the message:
Program mdrun_mpi, VERSION 3.3
Source code file: enxio.c, line: 343

Fatal error:
could not write energies
is this a memory related error?

also, is there a pre-defined waiting length for the different runs to 
finish? ie, if i am running 2 jobs on 2 diff machines and 1 of them finishes 
way earlier than the other, does the program sit idle for X seconds waiting 
for job2  and terminates if the wait is longer than X seconds? if so, is 
there a parameter to set X ourselves?

thanks alot.


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