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torque_slurm_scripts [2022/02/02 17:34]
jpummil 		torque_slurm_scripts [2022/02/02 17:36]
jpummil
Line 26: Line 26:
 mpirun -np $SLURM_NTASKS -machinefile /scratch/${SLURM_JOB_ID}/machinefile_${SLURM_JOB_ID} ./mympiexe -inputfile MA4um.mph -outputfile MA4um-output.mph mpirun -np $SLURM_NTASKS -machinefile /scratch/${SLURM_JOB_ID}/machinefile_${SLURM_JOB_ID} ./mympiexe -inputfile MA4um.mph -outputfile MA4um-output.mph
 </code> </code>
 +
 and a more complex script with file moving looks like: and a more complex script with file moving looks like:
-<code> + 
-#PBS -N espresso +
-#PBS -j oe +
-#PBS -o zzz.$PBS_JOBID +
-#PBS -l nodes=4:ppn=32,walltime=00:00:10 +
-#PBS -q q06h32c +
-module purge +
-module load intel/14.0.3 mkl/14.0.3 fftw/3.3.6 impi/5.1.2 +
-cd $PBS_O_WORKDIR +
-cp *.in *UPF /scratch/$PBS_JOBID +
-cd /scratch/$PBS_JOBID +
-sort -u $PBS_NODEFILE >hostfile +
-mpirun -ppn 16 -hostfile hostfile -genv OMP_NUM_THREADS 4 -genv MKL_NUM_THREADS 4 /share/apps/espresso/qe-6.1-intel-mkl-impi/bin/pw.x -npools 1 <ausurf.in +
-mv ausurf.log *mix* *wfc* *igk* $PBS_O_WORKDIR/ +
-</code>+
 <code> <code>
 #!/bin/bash #!/bin/bash
Line 62: Line 50:
 See also [ https://hprc.tamu.edu/wiki/TAMU_Supercomputing_Facility:HPRC:Batch_Translation ] [ https://slurm.schedmd.com/rosetta.pdf ] [ https://www.sdsc.edu/~hocks/FG/PBS.slurm.html ] See also [ https://hprc.tamu.edu/wiki/TAMU_Supercomputing_Facility:HPRC:Batch_Translation ] [ https://slurm.schedmd.com/rosetta.pdf ] [ https://www.sdsc.edu/~hocks/FG/PBS.slurm.html ]
  
-We have a conversion script **/share/apps/bin/pbs2slurm.sh** which should do 95% of the script conversion. Please report errors by the script so we can improve it. Normally it should be in your path and+We have a conversion script **/share/apps/bin/pbs2slurm.sh** which should do 95% of the script conversion from old PBS scripts to SLURM scripts. Please report errors by the script so we can improve it. Normally it should be in your path and
 <code> <code>
 pbs2slurm.sh <pbs-script-name> pbs2slurm.sh <pbs-script-name>
torque_slurm_scripts.txt · Last modified: 2022/02/02 20:36 by jpummil

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