From 4600e2e3f19a71550682e974369d1949e057b216 Mon Sep 17 00:00:00 2001 From: chn Date: Sun, 22 Sep 2024 17:46:11 +0800 Subject: [PATCH] packages.vasp.intel: fix --- packages/vasp/intel/default.nix | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/packages/vasp/intel/default.nix b/packages/vasp/intel/default.nix index 34b2cb26..5101064a 100644 --- a/packages/vasp/intel/default.nix +++ b/packages/vasp/intel/default.nix @@ -42,7 +42,7 @@ in writeShellScriptBin "vasp-intel" export LD_LIBRARY_PATH=${libfabric}/lib''${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH} # intel mpi need this to talk with slurm - ${lib.optionalString integratedWithSlurm "export I_MPI_MPI_LIBRARY=${slurm}/lib/libpmi2.so"} + ${lib.optionalString integratedWithSlurm "export I_MPI_PMI_LIBRARY=${slurm}/lib/libpmi2.so"} # add vasp and intel mpi in PATH export PATH=${vasp}/bin:${mpi}/bin''${PATH:+:$PATH}