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acelab:namd [2015/09/02 12:03] mcawood |
acelab:namd [2021/12/09 16:42] (current) |
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| There are two benchmarks setup for NAMD, which will work with both the CUDA and x86 versions. | There are two benchmarks setup for NAMD, which will work with both the CUDA and x86 versions. | ||
| - | The smaller test case is the apoa1 benchmark, with 2500 timesteps and 250 step output frequency: | + | The smaller test case is the apoa1 benchmark, with 2500 timesteps and 250 step output frequency: |
| - | The larger test case is the STMV benchmark, with 1500 timesteps and 500 step output frequency: | + | The larger test case is the STMV benchmark, with 1500 timesteps and 500 step output frequency: |
| NOTE: the benchmark calculates a once off FFT based on the number of cores used, so each test should be run twice to avoid this overhead. | NOTE: the benchmark calculates a once off FFT based on the number of cores used, so each test should be run twice to avoid this overhead. | ||