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cluster:175 [2018/09/23 12:23] hmeij07 [Gromacs] |
cluster:175 [2018/09/25 12:35] hmeij07 |
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+ | |||
+ | === WZ === | ||
+ | |||
+ | a) 1GPU with X CPUs | ||
+ | |||
+ | #cpus | ||
+ | 4 89.6 | ||
+ | 2 61.6 | ||
+ | 1 34.3 | ||
+ | |||
+ | b) 4 GPUs with 4 CPUs | ||
+ | 92 ns/day | ||
+ | |||
+ | ---------- | ||
+ | compare these results to | ||
+ | |||
+ | 1 K20 GPU + 4 CPUs 37 ns/day | ||
+ | 1 K20 GPU + 6 CPUs 47 ns/day | ||
+ | 1 GTX GPU + 4 CPUs 73 ns/day | ||
+ | 1 GTX GPU + 6 CPUs 90 ns/day | ||
+ | |||
+ | ---- | ||
+ | Test dir location | ||
+ | / | ||
+ | |||
+ | |||
+ | -------------- | ||
+ | I am running a material called PMMA (https:// | ||
+ | |||
+ | The reason for the different benchmark than yours is that the PMMA simulations require the calculation of molecular bonds, which is not implemented in GPU. | ||
==== Gromacs ==== | ==== Gromacs ==== |