====== Running CFOUR ======

  - <code>module use /net/projects/kaupp/modules && module load cfour/1.2</code>
  - Basis file named GENBAS and input file named ZMAT must be present in current working directory:
  - <code>ln -sr /projects/kaupp/prog/cfour/1.2/basis/GENBAS</code>
  - In SGE batch jobs invoke via: <code>xcfour ZMAT</code> (OpenMPI accesses all necessary information in a fully transparent mann from within SGE)
  - Interactive test jobs: <code>cfour_mpirun_opts="-np <no_proc>" xcfour ZMAT</code>
  - For further explanations please type: '<code>module help cfour/1.2</code>


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date of revision: 02-17-2020 © kraus
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