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 [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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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.1456401769.txt.gz · Last modified: 2020/08/21 10:15 (external edit)