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Benchmark Results

  The following table lists the CPU times in seconds for four benchmark jobs with X-PLOR that were run on a number of machines.

Benchmark 1 (see Chapter 22) consists of task 1. Benchmark 2 consists of tasks 2--4. Task 1 is a 0.5-psec MD-simulation on a DNA-undodecamer, task 2 is an electron density calculation at 2.8 Å for 3086 atoms, task 3 is a 3-d real fast Fourier transformation on a 180 x 96 x 96 grid, and task 4 is the application of four symmetry operators in reciprocal space to 8783 reflections. (Mcm stands for memory controller pair on the CONVEX.) All benchmarks were run in 64-bit precision. Task 1 has short vector loops; tasks 3 and 4 have long vector loops. Task 2 is predominantly scalar. No machine-specific modifications of the X-PLOR main source were carried out.

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