[gmx-users] soft "exit"

Daskalakis Vangelis vdas.pilot at gmail.com
Thu May 11 08:53:45 CEST 2017

Dear all,
I am running Gromacs 5.1.4 on a cluster with SLURM workload manager. How
can I terminate the running gromacs jobs (i.e. send the TERM/ INT signals)
but also allow time for each job to "soft exit" on the next step ? By "soft
exit" I mean that the job should be like it is finished (all the usual
output will be written to file), but before its end simulation time defined
in the tpr. There is of course the "scancel" command within slurm, but this
does not guarantee that the job will have the adequate time to "soft exit".



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