exercises:2016_summer_school:gga
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| Next revisionBoth sides next revision | |||
| exercises:2016_summer_school:gga [2016/08/23 06:46] – created ibethune | exercises:2016_summer_school:gga [2016/08/23 06:48] – ibethune | ||
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| Line 28: | Line 28: | ||
| <code - job> | <code - job> | ||
| #PBS -N mode1 | #PBS -N mode1 | ||
| + | #PBS -l select=2 | ||
| + | #PBS -l walltime=0: | ||
| + | #PBS -A y14 | ||
| #PBS -j oe | #PBS -j oe | ||
| - | #PBS -q dist_small | ||
| - | #PBS -l nodes=4: | ||
| - | #PBS -l walltime=10: | ||
| - | #PBS -A cp2k2015 | ||
| cd $PBS_O_WORKDIR | cd $PBS_O_WORKDIR | ||
| + | module load cp2k | ||
| - | module purge | + | aprun -n 48 cp2k.popt -i mode1.inp -o mode1.out |
| - | module load cp2k/2.6 | + | |
| - | + | ||
| - | prun cp2k.popt -i mode1.inp -o mode1.out | + | |
| </ | </ | ||
exercises/2016_summer_school/gga.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1