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software:cp2k [2018/04/27 11:10]
henkela
software:cp2k [2018/05/03 11:38] (current)
henkela [CP2K]
Line 33: Line 33:
 # Loading modules in the script ensures a consistent environment. # Loading modules in the script ensures a consistent environment.
 module purge  module purge 
-module load chem/GROMACS/5.1.4-foss-2016b-hybrid+module load chem/CP2K/4.1-intel-2016.04 ​
  
 # Launch the executable # Launch the executable
software/cp2k.txt · Last modified: 2018/05/03 11:38 by henkela