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High performance computing in chemistry and massively parallel computers: A simple transition?
Author(s) -
Kendall Rick A.
Publication year - 1993
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560480869
Subject(s) - massively parallel , simple (philosophy) , computer science , transition (genetics) , chemistry , computational science , parallel computing , computational chemistry , biochemistry , gene , philosophy , epistemology
A review of the various problems facing any software developer targeting massively parallel processing ( MPP ) systems is presented. Issues specific to computational chemistry application software will also be outlined. Computational chemistry software ported to and designed for the Intel Touchstone Delta Supercomputer will be discussed. Recommendations for future directions will also be made. © 1993 John Wiley & Sons, Inc.