User Tools

Site Tools


exercises:2020_uzh_acpc2:installation

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Last revisionBoth sides next revision
exercises:2020_uzh_acpc2:installation [2020/04/07 08:10] – [Module loading] jglanexercises:2020_uzh_acpc2:installation [2020/04/07 09:22] jglan
Line 69: Line 69:
 </code> </code>
  
-Now, make a new directory, for instance called ''exercise0''. Download and extract the file {{argon.zip|}} into this directory and run cp2k by typing+Now, make a new directory, for instance called ''exercise0''. Download and extract the file {{ :exercises:2019_uzh_acpc2:argon.zip |argon.inp}} into this directory and run cp2k by typing 
 + 
 +To download the file and extract the zip:
 <code> <code>
-cp2k.sopt -i argon.inp -o out_ex0.out+wget https://www.cp2k.org/_media/exercises:2019_uzh_acpc2:argon.zip 
 + 
 +mv exercises:2019_uzh_acpc2:argon.zip argon.zip 
 + 
 +unzip argon.zip 
 </code> </code>
 +
 +<code>
 +cp2k.popt -i argon.inp -o out_ex0.out
 +</code>
 +
 +To run cp2k with MPI, for instance with 2 CPU, one can use
 +<code>
 +mpirun -n 2 cp2k.popt -i argon.inp -o out_ex0.out
 +</code>
 +
 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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1