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Re: [ESPResSo-users] Multiple instances of espresso on one node

From: Florian Weik
Subject: Re: [ESPResSo-users] Multiple instances of espresso on one node
Date: Mon, 11 Mar 2019 10:53:46 +0100
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:60.0) Gecko/20100101 Thunderbird/60.5.1


typically the MPI runtime controlls the application via environment variables,

which can lead to interference between different processes if they are starten

within the same environment, as in your case. Maybe your problem can simply

be fixed by running srun in a sub-shell  by adding parentheses, like so


   (srun -n 1 --exclusive --mem=1G /path/to/pypresso /path/to/script)&

   (srun -n 1 --exclusive --mem=1G /path/to/pypresso /path/to/script)&

Hope that helps,


On 3/7/19 9:43 PM, Clemens Jochum wrote:
Dear ESPResSo-Team,

I want to optimize my use of HPC-nodes. Is it possible to have two (or more) instances of ESPResSo running on a single node (with slurm in my case)?

I tried the following lines:

srun -n 1 --exclusive --mem=1G /path/to/pypresso /path/to/script &
srun -n 1 --exclusive --mem=1G /path/to/pypresso /path/to/script &
But the programs are clearly running in serial and I'm getting the following warning inbetween:
Attempting to use an MPI routine after finalizing MPI
srun: error: n22-032: task 0: Exited with exit code 1
srun: Job step created

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