On 6/01/2012 2:00 AM, Albert wrote:
Hi:
I am using the following command to submit gromacs md jobs in cluster:
mpirun -exe /opt/gromacs/4.5.5/bin/mdrun_mpi_bg -args "-nosum -dlb yes
-v -s nvt.tpr" -mode VN -np 128
Then I use command tail -f gromacs.out to check the performance of my
jobs and I get the following information:
vol 0.38! imb F 11% pme/F 0.67 step 11200, will finish Thu Jan 5
15:32:42 2012
vol 0.36! imb F 11% pme/F 0.66 step 11300, will finish Thu Jan 5
15:32:42 2012
vol 0.38 imb F 11% pme/F 0.66 step 11400, will finish Thu Jan 5
15:32:42 2012
vol 0.37! imb F 12% pme/F 0.66 step 11500, will finish Thu Jan 5
15:32:42 2012
However, my current time is:
Thu Jan 5 15:56:17 CET 2012
As we can see, gromacs claimed that my job would be finished before my
current time. Does anybody have any idea to fix this?
The time on your cluster node and your login node must be set
differently. Fix that.
Mark
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