From 5bbf3dd5670bad2e38fa468d477e19d588767b55 Mon Sep 17 00:00:00 2001 From: Xing Wang Date: Fri, 9 Jun 2023 12:09:43 +0200 Subject: [PATCH] update mpiprocs_per_machine for merlin (#84) --- merlin.psi.ch/cpu/computer-setup.yaml | 2 +- merlin.psi.ch/gpu/computer-setup.yaml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/merlin.psi.ch/cpu/computer-setup.yaml b/merlin.psi.ch/cpu/computer-setup.yaml index 5487350..1569a26 100644 --- 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 index ea06e5a..66487d6 100644 --- 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