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Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system.

, , , and . Future Generation Comp. Syst., 11 (4-5): 445-450 (1995)

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A massively parallel multireference configuration interaction program: The parallel COLUMBUS program., , , , and . Journal of Computational Chemistry, 18 (3): 430-448 (1997)Implementing noncollective parallel I/O in cluster environments using Active Message communication., , and . Cluster Computing, 2 (4): 271-279 (1999)Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System., , , and . HPCN, volume 796 of Lecture Notes in Computer Science, page 203-209. Springer, (1994)Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system., , , and . Future Generation Comp. Syst., 11 (4-5): 445-450 (1995)An out-of-core implementation of the COLUMBUS massively-parallel multireference configuration interaction program., , and . SC, page 41. IEEE Computer Society, (1998)Distant I/O: One-Sided Access to Secondary Storage on Remote Processors., , and . HPDC, page 148-154. IEEE Computer Society, (1998)Automatic Tuning of the Fast Multipole Method Based on Integrated Performance Prediction., , , and . HPCC-ICESS, page 617-624. IEEE Computer Society, (2012)Comparison of scalable fast methods for long-range interactions, , , , , , , , , and 5 other author(s). Phys. Rev. E, 88 (6): 063308 (December 2013)Poster: Passing the three trillion particle limit with an error-controlled fast multipole method., , and . SC Companion, page 73-74. ACM, (2011)Library Support for Parallel Sorting in Scientific Computations., , and . Euro-Par, volume 4641 of Lecture Notes in Computer Science, page 695-704. Springer, (2007)