vivek sharma wrote:
Hi There,
I am running gromacs on parellel system using the submit command.
Commands are running fine, but the .trr file I got is not matching with
the trr file I got while running command in serial.
Based on what analysis? Have you done gmxcheck -f1 -f2 on these .trr files?
Also, I am getting a number of log files(equal to number of nodes I am
choosing).
How should I analyze them or check whether results with parellel run are
consistent with the serial run, to validate my procedure.
The md0.log contains the most detailed information. Have a look at the contents
with a text editor.
-Justin
Anybody having experience in related topic, please suggest me the proper
way of sorting it out. I am using submit command for submitting my job
in parellel run.
With Thanks,
Vivek
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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