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The version installed on hilbert can be run in parallel mode, the RASPT2 routines are, however, not heavily parallelized. Optimized versions are provided for arch=ivybridge and arch=skylake. The module is invoked with:
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OpenMolcas uses a number of internal variables to define computational ressources such as memory, diskspace and location of input and output files. An examble example submit script for parallel runs is shown below.
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