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https://gitlab.com/scemama/qp_plugins_scemama.git
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27 lines
474 B
Plaintext
27 lines
474 B
Plaintext
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#!/bin/bash
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#SBATCH --job-name=RSVD
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#SBATCH --output=%x_%j.out
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#
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#SBATCH --mail-type=ALL
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#SBATCH --mail-user=aammar@irsamc.ups-tlse.fr
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#
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#SBATCH -N 1
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#SBATCH -n 1
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#SBATCH -c 1
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#SBATCH -t 250:00:00
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#SBATCH -p xeonv2
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###SBATCH --exclusive
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#
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#
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#
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srun hostname
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echo "Running on `hostname`"
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#
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echo "Kicking off $SLURM_NPROCS compute servers on $SLURM_NNODES nodes"
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echo "Nodes are\n `scontrol show hostname`"
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#
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source ~/qmcchem/qmcchemrc
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#
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python perform_RSVD.py >> RSVD_py.out
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