Re: [AMBER] Running in a loop

From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Thu, 8 Jul 2021 11:29:43 -0400

If you are running on a cluster with SLURM, I don’t think this is really an Amber-specific question. You can write a bash script like the following:

FirstJobID=$(sbatch <FirstJob>.sb | awk ‘{print $4}’)
sbatch —dependency=afterok:$FirstJobID <SecondJob>.sb

Where FirstJob.sb and SecondJob.sb are submission scripts.

Best,
Matthew


> On Jul 8, 2021, at 10:37 AM, ankita mehta <mehtaroadies.gmail.com> wrote:
>
> *Message sent from a system outside of UConn.*
>
>
> *Hello all,*
>
> *I am running simulation in a loop.*
>
> *In which I want next simulation to run only when my previous run has
> completed .*
>
> *What is the way out for this?*
>
> *Thanks!*
>
>
> *P.S. - I dint get any message from *amber-bounces.ambermd.org.
>
> So , I am sending this here again.Please ignore if you got my previous mail.
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Received on Thu Jul 08 2021 - 09:00:03 PDT