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torque_slurm_scripts [2022/02/02 17:34] jpummil |
torque_slurm_scripts [2022/02/02 20:36] (current) jpummil |
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====Slurm Commands and Scripts==== | ====Slurm Commands and Scripts==== | ||
- | Basic torque/slurm commands are: | + | Basic slurm commands are: |
<csv> | <csv> | ||
slurm, use | slurm, use | ||
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mpirun -np $SLURM_NTASKS -machinefile / | mpirun -np $SLURM_NTASKS -machinefile / | ||
</ | </ | ||
+ | |||
and a more complex script with file moving looks like: | and a more complex script with file moving looks like: | ||
- | < | + | |
- | #PBS -N espresso | + | |
- | #PBS -j oe | + | |
- | #PBS -o zzz.$PBS_JOBID | + | |
- | #PBS -l nodes=4: | + | |
- | #PBS -q q06h32c | + | |
- | module purge | + | |
- | module load intel/ | + | |
- | cd $PBS_O_WORKDIR | + | |
- | cp *.in *UPF / | + | |
- | cd / | + | |
- | sort -u $PBS_NODEFILE > | + | |
- | mpirun -ppn 16 -hostfile hostfile -genv OMP_NUM_THREADS 4 -genv MKL_NUM_THREADS 4 / | + | |
- | mv ausurf.log *mix* *wfc* *igk* $PBS_O_WORKDIR/ | + | |
- | </ | + | |
< | < | ||
#!/bin/bash | #!/bin/bash | ||
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See also [ https:// | See also [ https:// | ||
- | We have a conversion script **/ | + | We have a conversion script **/ |
< | < | ||
pbs2slurm.sh < | pbs2slurm.sh < |