Hi Amber users,
I have recently gotten my hands on some of the new NVIDIA RTX 5000 Ada GPUs and wanted to pass along Amber benchmarks:
JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs: 1384.55 ns/day
JAC_PRODUCTION_NPT - 23,558 atoms PME 4fs: 1323.80 ns/day
JAC_PRODUCTION_NVE - 23,558 atoms PME 2fs: 703.87 ns/day
JAC_PRODUCTION_NPT - 23,558 atoms PME 2fs: 687.29 ns/day
FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME 2fs: 347.79 ns/day
FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME 2fs: 310.89 ns/day
CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME 2fs: 89.35 ns/day
CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME 2fs: 75.94 ns/day
This puts this card somewhere between an RTX 4070 Ti and an H100, or about 75-80% of the performance of the previously released RTX 6000 Ada. Since the cost of this card is currently about 65-70% of the RTX 6000 Ada it’s a good deal, but not by a lot. Either card is a probably a good compromise between the RTX 4090 or 4070 Ti (cheap and powerful, but hard to fit more than one or two in a box) and the L40 or H100 (expensive).
-TB
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 26 2023 - 07:30:02 PDT
