cluster:175
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cluster:175 [2018/09/22 12:48] hmeij07 [Lammps] |
cluster:175 [2018/09/23 12:22] hmeij07 [Gromacs] |
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| **[[cluster: | **[[cluster: | ||
| - | ==== GTX vs P100 & K20 ==== | + | ==== P100 vs GTX & K20 ==== |
| - | Comparing these GPUs yields the following | + | ^ ^ P100 ^ GTX ^ K20 ^ ^ |
| + | | cores | 3,584 | 3,584 | 2,496 | count | | ||
| + | | mem | 12/16 | 11 | 5 | gb | | ||
| + | | ghz | 2.6 | 1.6 | 0.7 | speed | | ||
| + | | flops | 4.7/ | ||
| + | |||
| + | Comparing these GPUs yields the following | ||
| Credits: This work was made possible, in part, through HPC time donated by Microway, Inc. We gratefully acknowledge Microway for providing access to their GPU-accelerated compute cluster. | Credits: This work was made possible, in part, through HPC time donated by Microway, Inc. We gratefully acknowledge Microway for providing access to their GPU-accelerated compute cluster. | ||
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| </ | </ | ||
| + | |||
| + | Look at these gpu temperatures, | ||
| ==== Lammps ==== | ==== Lammps ==== | ||
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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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| localhost, | localhost, | ||
| localhost, | localhost, | ||
| - | gmx_mpi mdrun -gpu_id 0123 -ntmpi 0 \ | + | gmx_mpi mdrun -gpu_id 0123 -ntmpi |
| -s topol.tpr -ntomp 4 -npme 1 -nsteps 20000 -pin on -nb gpu | -s topol.tpr -ntomp 4 -npme 1 -nsteps 20000 -pin on -nb gpu | ||
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| | | ||
| - | gpu=4 mpi=25 ntomp=4 -npme 1 | + | gpu=4 mpi=25 |
| Performance: | Performance: | ||
| gpu=3 (same) | gpu=3 (same) | ||
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| </ | </ | ||
| + | |||
| + | ==== What to Buy ==== | ||
| + | |||
| + | * Amber folks: does not matter | ||
| + | * Lammps folks: P100 nodes please | ||
| + | * Gromacs folks: GTX nodes please | ||
| + | |||
| + | Remember that GTX gpus placed in Data Center voids their warranty. | ||
| + | |||
| \\ | \\ | ||
cluster/175.txt · Last modified: 2018/11/29 18:00 by hmeij07
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