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cluster:175 [2018/09/22 12:48] hmeij07 [Lammps] |
cluster:175 [2018/09/22 12:52] hmeij07 [Gromacs] |
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Gromacs has shown vastly improved performance between versions. v5 delivered about 20 ns/day per K20 server and 350 ns/day on GTX server. v2018 delivered 75 ns/day per K20 server and 900 ns/day on GTX server. A roughly 3x improvement. | Gromacs has shown vastly improved performance between versions. v5 delivered about 20 ns/day per K20 server and 350 ns/day on GTX server. v2018 delivered 75 ns/day per K20 server and 900 ns/day on GTX server. A roughly 3x improvement. | ||
- | On the P100 I could not invoke the multidir option of gromacs (have run it on GTX, weird). The utilization of the gpu drops as more and more gpus are deployed. | + | On the P100 test node, I could not invoke the multidir option of gromacs (have run it on GTX, weird). The utilization of the gpu drops as more and more gpus are deployed. |
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- | gpu=4 mpi=25 ntomp=4 -npme 1 | + | gpu=4 mpi=25 |
Performance: | Performance: | ||
gpu=3 (same) | gpu=3 (same) |