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exercises:2016_ethz_mmm:c2h2_bond_energy

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exercises:2016_ethz_mmm:c2h2_bond_energy [2016/03/04 09:35]
sclelia
exercises:2016_ethz_mmm:c2h2_bond_energy [2016/03/04 12:03]
sclelia
Line 13: Line 13:
  
 <code> <code>
-you@eulerX ~$ module load new cp2k+you@eulerX ~$ module load cp2k
 </code> </code>
  
Line 117: Line 117:
 # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list
 # #
-module load new cp2k+module load cp2k
 . /cluster/apps/courses/mmm/m_functions.bash . /cluster/apps/courses/mmm/m_functions.bash
  
Line 170: Line 170:
  
 <code> <code>
-you@eulerX c2h2$ module load new cp2k+you@eulerX c2h2$ module load cp2k
 you@eulerX c2h2$ bsub < c2h2.chain you@eulerX c2h2$ bsub < c2h2.chain
 </code> </code>
Line 255: Line 255:
 # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list
 # #
-module load new cp2k+module load cp2k
 #. ~/Scripts/myfunctions.bash #. ~/Scripts/myfunctions.bash
 . /cluster/apps/courses/mmm/m_functions.bash . /cluster/apps/courses/mmm/m_functions.bash
exercises/2016_ethz_mmm/c2h2_bond_energy.txt ยท Last modified: 2020/08/21 10:15 (external edit)