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

From: Clemens Jochum
Subject: [ESPResSo-users] Multiple instances of espresso on one node
Date: Thu, 7 Mar 2019 21:43:32 +0100
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:60.0) Gecko/20100101 Thunderbird/60.4.0

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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