User Tools

Site Tools


exercises:2016_ethz_mmm:single_point_calculation

Differences

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

Link to this comparison view

Both sides previous revision Previous revision
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
Line 60: Line 60:
  
 === 2. Step === === 2. Step ===
-Run CP2K with the following ​arguments:+Submit a CP2K calculation ​with the following ​commands:
 <​code>​ <​code>​
-cp2k.popt -i energy.inp -o energy.out+bsub -n 1  mpirun ​cp2k.popt -i energy.inp -o energy.out
 </​code>​ </​code>​
  
exercises/2016_ethz_mmm/single_point_calculation.txt ยท Last modified: 2016/02/25 12:17 by sclelia