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Global Arrays parallelization of ridft and rdgrad

ridft and rdgrad are parallelized with MPI using the Global Arrayshttp://www.emsl.pnl.gov/docs/global/ toolkit.

Those versions are automatically used when setting PARA_ARCH=SMP but can also turned on with PARA_ARCH=GA on clusters. Due to the explicit usage of shared memory on an SMP system, user has to be allowed to use sufficient shared memory:


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Next: Preparing your input file Up: Running Parallel Jobs Previous: Multi-thread parallelization of aoforce,   Contents   Index
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