[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.
rob
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