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

[Florian Weik]

Hi,

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,

Florian

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 &
wait

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

Best,
Clemens