For the table below, the time to calculate the SF6 ground state energy and two points of the polarization potential for the e+-SF6 system using the serial and concurrent versions of the PATMOL code are compared.
| # Processors | Execution Time (minutes) |
|---|---|
| Gamera | |
| 1 | 222 (Serial) |
| 16 | 10 (MPI) |
We believe that the "superlinear" speedup is due to having 16 cache lines and 16 local disks available for the two-electron integrals.
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