On 6/20/15 7:54 AM, Zhang, Cheng wrote:
Dear GROMACS experts,
(Relevant files can be found on https://copy.com/7DMkn6OxJBqEZtqh)
I have been told in the error file:
... ...
Reading frame1700 time 17000.000
Reading frame1800 time 18000.000
Reading frame1900 time 19000.000
Reading frame2000 time 2.000
--
mpirun noticed that process rank 0 with PID 3 on node node-080 exited on
signal 8 (Floating point exception).
--
when I tried to submit a job with commandline below on our cluster:
echo "2 2" | gerun g_rms -s md_0_1.tpr -f md_0_1.xtc
Can I ask what is incorrect in my job? Thank you very much.
Don't run analysis tools in parallel.
-Justin
--
==
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
==
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