update mpiprocs_per_machine for merlin (#84)

superstar54 · web-flow · commit 5bbf3dd5670b · 2023-06-09T12:09:43.000+02:00
diff --git a/merlin.psi.ch/cpu/computer-setup.yaml b/merlin.psi.ch/cpu/computer-setup.yaml
@@ -7,7 +7,7 @@ scheduler: slurm
 work_dir: /shared-scratch/{username}/aiida_run/
 shebang: '#!/bin/bash'
 mpirun_command: srun -n {tot_num_mpiprocs}
-mpiprocs_per_machine: 1
+mpiprocs_per_machine: 44
 prepend_text: |
     ### computer prepend_text start ###
     #SBATCH --cluster=merlin6
diff --git a/merlin.psi.ch/gpu/computer-setup.yaml b/merlin.psi.ch/gpu/computer-setup.yaml
@@ -7,7 +7,7 @@ scheduler: slurm
 work_dir: /shared-scratch/{username}/aiida_run/
 shebang: '#!/bin/bash'
 mpirun_command: srun -n {tot_num_mpiprocs}
-mpiprocs_per_machine: 1
+mpiprocs_per_machine: 20
 prepend_text: |
     ### computer prepend_text start ###
     #SBATCH --cluster=gmerlin6
