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Commit fdb3bc59 authored by Sandipan Mohanty's avatar Sandipan Mohanty
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AMBER 20 easybuild script with gpsmkl and NCCL

We use system SciPy-Stack rather than letting AMBER download its
own. We use NVidia NCCL library for inter-GPU communications.
We also use system MKL and Boost.  This was tested on JUWELS-BOOSTER.
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