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Restart imidazole 10 nodes

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This commit is contained in:
Mickaël Véril 2020-12-26 14:39:46 +01:00
parent 236b6c2098
commit af91b05984
1 changed files with 3 additions and 3 deletions
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6
imidazole/cc-pvdz/run_restart.sh
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@ -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