## Abstract A parallel Fock matrix construction program for FMO‐MO method has been developed with the distributed shared memory model. To construct a large‐sized Fock matrix during FMO‐MO calculations, a distributed parallel algorithm was designed to make full use of local memory to reduce communic
Parallelizing the construction of indirect access arrays for shared-memory machines
✍ Scribed by Tuszyński, Jaroslaw ;Löhner, Rainald
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 123 KB
- Volume
- 14
- Category
- Article
- ISSN
- 1069-8299
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✦ Synopsis
A way has been found to form indirect addressing lists in parallel on shared-memory parallel machines. The maximum possible speed-up for typical tetrahedral grids is approximately 1 : 23. The algorithm requires an additional scratch array to shift from the serial elements surrounding points' to the parallel elements surrounding processors surrounding points' paradigm. The algorithm developed is general in nature, i.e. applicable to all indirect addressing lists. All numerical methods requiring the construction of indirect data structures, such as sparse matrix linear algebra procedures, ®eld and particle solvers operating on unstructured grids, and network ¯ow applications should see a bene®t from this algorithm when running on shared-memory parallel machines.
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