mirror of
https://github.com/triqs/dft_tools
synced 2024-12-24 21:33:43 +01:00
29 lines
652 B
Bash
29 lines
652 B
Bash
#!/bin/bash -l
|
|
#
|
|
#SBATCH --job-name="JOBNAME"
|
|
#SBATCH --time=36:00:00
|
|
##SBATCH --nodes=8
|
|
#SBATCH --ntasks=8
|
|
#SBATCH --partition=qmac
|
|
##SBATCH --mem-per-cpu=1024
|
|
#SBATCH --output=job.%j.o
|
|
#SBATCH --error=job.%j.e
|
|
|
|
#======START=====
|
|
# source $HOME/.profile
|
|
# export KMP_AFFINITY=none
|
|
|
|
# module load slurm
|
|
source /cm/shared/apps/intel/composer_xe/composer_xe_2015.0.090/mkl/bin/mklvars.sh intel64
|
|
# module switch PrgEnv-gnu PrgEnv-intel
|
|
# module load intel/14.0.2.144
|
|
#module load intel/mkl/64/11.2/2015.0.090
|
|
|
|
export OMP_NUM_THREADS=1
|
|
|
|
VASP_DIR=$HOME/Codes/vasp/build_20151202/vasp.5.4.2/build/std
|
|
#mpirun -np $SLURM_NTASKS $VASP_DIR/vasp
|
|
./sc_dmft.sh
|
|
|
|
|