From af91b059843ff9ad07545fcb8b76d6e373c3d408 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Sat, 26 Dec 2020 14:39:46 +0100 Subject: [PATCH] Restart imidazole 10 nodes --- imidazole/cc-pvdz/run_restart.sh | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/imidazole/cc-pvdz/run_restart.sh b/imidazole/cc-pvdz/run_restart.sh index 251fcb4..4f4415b 100644 --- a/imidazole/cc-pvdz/run_restart.sh +++ b/imidazole/cc-pvdz/run_restart.sh @@ -1,6 +1,6 @@ #!/bin/bash -x -#SBATCH -N 1 # 1 noeud -#SBATCH -n 1 # 1 processus +#SBATCH -N 10 # 1 noeud +#SBATCH -n 10 # 1 processus #SBATCH -c 36 # 36 coeurs INPUT=$1 @@ -14,4 +14,4 @@ qp set determinants n_states 1 qp set determinants read_wf True qp set determinants s2_eig False qp set determinants n_det_max 1e8 -qp run fci > ${INPUT}.restart.nofci.out +qp srun fci > ${INPUT}.restart2.nofci.out