exercises:2020_uzh_acpc2:installation
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| exercises:2020_uzh_acpc2:installation [2020/04/07 08:10] – [Module loading] jglan | exercises:2020_uzh_acpc2:installation [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| - | Now, make a new directory, for instance called '' | + | Now, make a new directory, for instance called '' |
| + | |||
| + | To download the file and extract the zip: | ||
| < | < | ||
| - | cp2k.sopt -i argon.inp -o out_ex0.out | + | wget https:// |
| + | |||
| + | mv exercises: | ||
| + | |||
| + | unzip argon.zip | ||
| </ | </ | ||
| + | |||
| + | < | ||
| + | cp2k.popt -i argon.inp -o out_ex0.out | ||
| + | </ | ||
| + | |||
| + | To run cp2k with MPI, for instance with 2 CPU, one can use | ||
| + | < | ||
| + | mpirun -n 2 cp2k.popt -i argon.inp -o out_ex0.out | ||
| + | </ | ||
| + | |||
| You just ran a short Molecular Dynamics trajectory of liquid argon. | You just ran a short Molecular Dynamics trajectory of liquid argon. | ||
exercises/2020_uzh_acpc2/installation.1586247043.txt.gz · Last modified: (external edit)
