diff --git a/local/pkgs/vasp/intel/default.nix b/local/pkgs/vasp/intel/default.nix index 2269d865..693d7aef 100644 --- a/local/pkgs/vasp/intel/default.nix +++ b/local/pkgs/vasp/intel/default.nix @@ -76,11 +76,8 @@ let export I_MPI_PIN_DOMAIN=''${I_MPI_PIN_DOMAIN-omp} export I_MPI_DEBUG=''${I_MPI_DEBUG-4} - # do not respect slurm allocation - export I_MPI_JOB_RESPECT_PROCESS_PLACEMENT=no - # fork to bootstrap, do not use srun, causing it could not find proper ld - export I_MPI_HYDRA_BOOTSTRAP=fork + export I_MPI_HYDRA_BOOTSTRAP=''${I_MPI_HYDRA_BOOTSTRAP-fork} ${additionalCommands}