On Thu, Sep 01, 2016, Garima Singh wrote:
> MD stop at different time period without giving any error
Are you using a queueing system? Sometimes they send errors to strange
places. Are you running in parallel? Same type of problem...failures on
nodes other than the master node can sometimes get lost.
> | Estimated time remaining: 167.1 hours.
Any chance you are hitting some time limit on your system? I generally run
jobs of about 24 hours each, and stack several such jobs together in a single
bash script. That way, I'm not expecting a single run to last for a week.
> and when i restart same simulation using sander mpi it is again stop at
Consider switching to pmemd.MPI: it will generally be much faster than
sander.MPI, and you seem to be running very long simulations.
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Received on Thu Sep 01 2016 - 05:00:03 PDT
