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: 2020/08/21 10:15 (external edit)