mirror of
https://github.com/triqs/dft_tools
synced 2024-11-07 06:33:48 +01:00
29 lines
652 B
Bash
29 lines
652 B
Bash
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#!/bin/bash -l
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#
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#SBATCH --job-name="JOBNAME"
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#SBATCH --time=36:00:00
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##SBATCH --nodes=8
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#SBATCH --ntasks=8
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#SBATCH --partition=qmac
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##SBATCH --mem-per-cpu=1024
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#SBATCH --output=job.%j.o
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#SBATCH --error=job.%j.e
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#======START=====
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# source $HOME/.profile
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# export KMP_AFFINITY=none
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# module load slurm
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source /cm/shared/apps/intel/composer_xe/composer_xe_2015.0.090/mkl/bin/mklvars.sh intel64
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# module switch PrgEnv-gnu PrgEnv-intel
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# module load intel/14.0.2.144
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#module load intel/mkl/64/11.2/2015.0.090
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export OMP_NUM_THREADS=1
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VASP_DIR=$HOME/Codes/vasp/build_20151202/vasp.5.4.2/build/std
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#mpirun -np $SLURM_NTASKS $VASP_DIR/vasp
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./sc_dmft.sh
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