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cluster:175 [2018/09/25 12:35] hmeij07 |
cluster:175 [2018/09/26 20:01] hmeij07 [Gromacs] |
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</ | </ | ||
- | === WZ === | + | ==== Lammps (PMMA) ==== |
- | a) 1GPU with X CPUs | + | Using a material called PMMA (https:// |
- | #cpus | + | ^ gpu ^ |
- | 4 | + | | 1 P100 | |
- | 2 61.6 | + | | 1 GTX | |
- | 1 34.3 | + | | |
- | b) 4 GPUs with 4 CPUs | + | That means the P100 works as well as the GTX. The K20 works at 50% the performance level of the others which is impressive for this old gpu. |
- | 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 ==== | ||
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0, Tesla P100-PCIE-16GB, | 0, Tesla P100-PCIE-16GB, | ||
+ | </ | ||
+ | |||
+ | ==== Gromacs 2018.3 ==== | ||
+ | |||
+ | < | ||
+ | multidir -gpu_id 0123 | ||
+ | -np 8 -ntomp | ||
+ | 01/ | ||
+ | 02/ | ||
+ | 03/ | ||
+ | 04/ | ||
+ | -np 16 -ntomp | ||
+ | 01/ | ||
+ | 02/ | ||
+ | 03/ | ||
+ | 04/ | ||
+ | |||
+ | multidir -gpu_id 00112233 | ||
+ | -np 8 -ntomp | ||
+ | Error in user input: | ||
+ | The string of available GPU device IDs ' | ||
+ | device IDs | ||
</ | </ | ||