exercises:2016_ethz_mmm:single_point_calculation
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exercises:2016_ethz_mmm:single_point_calculation [2016/02/25 12:02] – sclelia | exercises:2016_ethz_mmm:single_point_calculation [2016/02/25 12:17] – sclelia | ||
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=== 2. Step === | === 2. Step === | ||
- | Run CP2K with the following | + | Submit a CP2K calculation |
< | < | ||
- | $ cp2k.popt -i energy.inp -o energy.out | + | bsub -n 1 mpirun |
</ | </ | ||
exercises/2016_ethz_mmm/single_point_calculation.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1