Optimization and parallelization of B-spline based orbital evaluations in QMC on multi/many-core shared memory processors

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Mathuriya, Amrita; Luo, Ye; Benali, Anouar; Shulenburger, Luke; Kim, Jeongnim;

B-spline based orbital representations are widely used in Quantum Monte Carlo (QMC) simulations of solids, historically taking as much as 50% of the total run time. Random accesses to a large four-dimensional array make it challenging to efficiently utilize caches and w... View more
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