cluster:166
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| cluster:166 [2018/06/19 12:33] – hmeij07 | cluster:166 [2018/06/27 11:51] (current) – [Notes] hmeij07 | ||
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| * Amber 16. Nucleosome bench runs 4.5x faster than on a K20 | * Amber 16. Nucleosome bench runs 4.5x faster than on a K20 | ||
| * Gromacs 5.1.4. Colin' | * Gromacs 5.1.4. Colin' | ||
| - | * Lammps 11Aug17. Colloid example runs about 11x faster than a K20 | + | * Lammps 11Aug17. Colloid example runs about 11x faster than on a K20 |
| * FSL 5.0.10. BFT bedpostx tests run 16x faster on CPU, a whopping 118x faster on GPU vs CPU. | * FSL 5.0.10. BFT bedpostx tests run 16x faster on CPU, a whopping 118x faster on GPU vs CPU. | ||
| * Price of 128gb node in 2017 was $8, | * Price of 128gb node in 2017 was $8, | ||
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| * Fall back option to v2.2 (definitely free of infringement, | * Fall back option to v2.2 (definitely free of infringement, | ||
| * Move forward option, adopt SLURM (LBL developers, major disruption) | * Move forward option, adopt SLURM (LBL developers, major disruption) | ||
| + | |||
| + | * If we adopt SLURM should we transition to OpenHPC Warewulf/ | ||
| + | * http:// | ||
| + | * new login node and couple compute nodes to start? | ||
| * New HPC Advisory Group Member | * New HPC Advisory Group Member | ||
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| * Tidbits | * Tidbits | ||
| * Bought deep U42 rack with AC cooling onboard and two PDUs | * Bought deep U42 rack with AC cooling onboard and two PDUs | ||
| - | * Pushed Angstrom rack (bss24) out of our area, ready to recycle that | + | * Pushed Angstrom rack (bss24) out of our area, ready to recycle that (Done. 06/20/2018) |
| * Currently we have two U42 racks empty with power | * Currently we have two U42 racks empty with power | ||
| * Cooling needs to be provided with any new major purchases (provost, ITS, HPC?) | * Cooling needs to be provided with any new major purchases (provost, ITS, HPC?) | ||
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| * cottontail (03/ | * cottontail (03/ | ||
| * ringtail & n78 (10/2020) | * ringtail & n78 (10/2020) | ||
| - | * mw128_nodes (06/2020) | + | * mw128_nodes |
| * All Infiniband ports are in use | * All Infiniband ports are in use | ||
| + | ===== Notes ===== | ||
| + | |||
| + | * First make a page comparing CPU vs GPU usage which may influence future purchase [[cluster: | ||
| + | * $100k quote, 3to5 vendors, data points mid-2018 | ||
| + | * One node (or all) should have configured on it: amber, gromacs, laamps, namd, latest version | ||
| + | * Nvidia latest version, optimal configs cpu:gpu ratios | ||
| + | * Amber 1:1 (may be 1:2 in future releases) - amber certified GPU! | ||
| + | * Gromacs 10:1 (could ramp up to claiming all resources per node) | ||
| + | * Namd 13:1 (could ramp up to claiming all resources per node) | ||
| + | * Lammps 2-4:1 | ||
| + | * 128g with enough CPU slots to take over '' | ||
| + | * Anticipated target (also to manage heat exchange) | ||
| + | * 2x10 Xeon CPU (~100gb left) with 2xgtx1080ti GPU (25gb memory required) | ||
| + | * as many as fit budget but but no more than 15 rack wise | ||
| \\ | \\ | ||
| **[[cluster: | **[[cluster: | ||
cluster/166.1529411627.txt.gz · Last modified: by hmeij07