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Can I read Parallel computation of the MP2 energy on distributed memory computers: MP2 ENERGY on EtoBox?
Parallel computation of the MP2 energy on distributed memory computers: MP2 ENERGY by Antonio M. Márquez; Michel Dupuis is a Chemistry article available to read on EtoBox.
What is Parallel computation of the MP2 energy on distributed memory computers: MP2 ENERGY about?
A parallel distributed implementation of the second-order Mdler-Plesset perturbation theory method, widely used in quantum chemistry, is presented. Parallelization strategy and performance for the HONDO quantum chemistry program running on a network of Unix computers are also discussed. Superlinear speedups are obtained through a combined use of the CPU and memory of the different processors. Performance for standard and direct algorithms are presented and discussed. A superdirect algorithm that eliminates the communication bottleneck during the integral transformation step is also proposed.
Who reads Parallel computation of the MP2 energy on distributed memory computers: MP2 ENERGY?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Antonio M. Márquez; Michel Dupuis
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 1995
- Language
- EN
- Field
- Chemistry (Physical Sciences)