On the Parallelization of CHARMM on the CM-5/5E
We describe a new port of CHARMM to the CM-5 supercomputer. This port is based on the original B-H parallelization of CHARMM for MIMD machines but it has an improved communications library.
KeywordsLoad Imbalance Active Message Communication Library Vector Global Innermost Loop
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- B. R. Brooks and M. Hodošček, Chemical Design Automation News 7, 16 (1992).Google Scholar
- G. C. Fox, M. A. Johnson, G. A. Lyszerga, S. W. Otto, J. K. Salmon and D. W. Walker, Solving Problems on Concurrent Processors, Vol. 1, Prentice Hall, Englewod Cliffs, NJ (1988).Google Scholar
- R. A. van de Geijn, Technical Report CS-91-138 University of Tennessee.Google Scholar
- T. von Eicken, D. E. Culler, S. C. Glodstein and K. E. Schauser, in Procs. of the 19th International Symposium on Computer Architecture. ACM Press, Australia, May 1992.Google Scholar
- L. W. Tucker and A. Mainwaring, Parallel Computing, 20, No 4, March 31, 1994.Google Scholar
- The apogee apf77 compiler (version 2.3) is a commercial product provided by Apogee Software Inc.Google Scholar