mirror of https://gitlab.com/QEF/q-e.git
25 lines
652 B
Bash
25 lines
652 B
Bash
#!/bin/sh
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#
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# example script on NERSC edison
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#
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#PBS -q debug
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#PBS -N EXX_water_32_example
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#PBS -l walltime=0:10:00
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#PBS -l mppwidth=288
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#PBS -V
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#PBS -j oe
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#PBS -e tst.$PBS_JOBID.err
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#PBS -o tst.$PBS_JOBID.out
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cd $PBS_O_WORKDIR
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CODE_n=<your_cp.x_location>
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# example of number of MPI tasks = 2 * number of electronic states
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# using 256 MPI tasks and 2 OpenMP threads per MPI tasks
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# also 256 MPI tasks allow to use task group parallelizion, here -ntg 2 is used
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#
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export OMP_NUM_THREADS=2
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aprun -j 2 -n 256 -d 2 -cc depth $CODE_n -ntg 2 -ndiag 121 < 01.input > 01.out
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aprun -j 2 -n 256 -d 2 -cc depth $CODE_n -ntg 2 -ndiag 121 < 02.input > 02.out
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