localPackages.vasp: fix

2026-01-12 04:39:23 +08:00 · 2024-03-24 17:53:45 +08:00
parent 2d8dc72c52
commit 489a6d8866
1 changed files with 1 additions and 2 deletions
--- a/local/pkgs/vasp/nvidia/default.nix
+++ b/local/pkgs/vasp/nvidia/default.nix
@@ -74,8 +74,7 @@ let
      else
      ''
        if [ -n "''${SLURM_JOB_ID-}" ]; then
-          # srun should be in PATH
-          exec mpirun ${vasp version}/bin/vasp-${variant}
+          exec mpirun --bind-to none ${vasp version}/bin/vasp-${variant}
        else
          exec mpirun -np 1 ${vasp version}/bin/vasp-${variant}
        fi