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Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor.

, , , , and . ISC Workshops, volume 10524 of Lecture Notes in Computer Science, page 404-418. Springer, (2017)

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Performance Analysis of the NWChem TCE for Different Communication Patterns., , , and . PMBS@SC, volume 8551 of Lecture Notes in Computer Science, page 281-294. Springer, (2013)Improving concurrency and asynchrony in multithreaded MPI applications using software offloading., , , , , , , and . SC, page 30:1-30:12. ACM, (2015)Challenges and methods in large-scale computational chemistry applications.. ACM Crossroads, 19 (3): 28-31 (2013)An evaluation of difference and threshold techniques for efficient checkpoints., , and . DSN Workshops, page 1-6. IEEE Computer Society, (2012)Comparing Runtime Systems with Exascale Ambitions Using the Parallel Research Kernels., , , , , , , , and . ISC, volume 9697 of Lecture Notes in Computer Science, page 321-339. Springer, (2016)Poster: High-level, one-sided programming models on MPI: a case study with global arrays and NWChem., , , , and . SC Companion, page 37-38. ACM, (2011)ALCF MPI Benchmarks: Understanding Machine-Specific Communication Behavior., , , , , and . ICPP Workshops, page 19-28. IEEE Computer Society, (2012)Towards a matrix-oriented strided interface in OpenSHMEM.. PGAS, page 17:1-17:3. ACM, (2014)TTC: A high-performance Compiler for Tensor Transpositions., , and . CoRR, (2016)Casper: An Asynchronous Progress Model for MPI RMA on Many-Core Architectures., , , , , and . IPDPS, page 665-676. IEEE Computer Society, (2015)