[gmx-users] strange problem with performance information

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jan 5 16:04:18 CET 2012


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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