[gmx-users] IO problem on Cray XT3 MPP
vijaya65 at hotmail.com
Fri Oct 5 21:56:27 CEST 2007
I have been running GROMACS jobs on a
Cray XT3 MPP machine. I get limited time, 12 hr, for any given run and find that the
.edr file and .log files do not get written to continuously. This is ok if the run
finishes but I lose data everytime the runtime exceeds the 12 hr limit. The following is the
info I got from the sys admn about the issue: The problem with GROMACS looks like it is caused by the way GROMACS
buffers its IO, which would not be easy for us to fix. Is there a GROMACS
keyword that you can use to change this?
Does anyone know of a workaround this problem?
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