Hi All,
Following up on the 4090, H100 and 4070TI numbers I now have benchmark numbers for the RTX6000ADA (L40 should be similar, maybe a few % slower):
JAC_PRODUCTION_NVE - 23,558 atoms PME 4fs
-----------------------------------------
1 x H100 GPU: | ns/day = 1479.32
1 x 4090 GPU: | ns/day = 1638.75
1 x 6000ADA GPU: | ns/day = 1585.07
1 x 4070TI GPU: | ns/day = 1322.64
1 x 3090 GPU: | ns/day = 1196.50
1 x A100 GPU: | ns/day = 1199.22
JAC_PRODUCTION_NPT - 23,558 atoms PME 4fs
-----------------------------------------
1 x H100 GPU: | ns/day = 1424.90
1 x 4090 GPU: | ns/day = 1618.45
1 x 6000ADA GPU: | ns/day = 1537.63
1 x 4070TI GPU: | ns/day = 1262.40
1 x 3090 GPU: | ns/day = 1157.76
1 x A100 GPU: | ns/day = 1194.50
JAC_PRODUCTION_NVE - 23,558 atoms PME 2fs
-----------------------------------------
1 x H100 GPU: | ns/day = 779.95
1 x 4090 GPU: | ns/day = 883.23
1 x 6000ADA GPU: | ns/day = 845.71
1 x 4070TI GPU: | ns/day = 701.09
1 x 3090 GPU: | ns/day = 632.19
1 x A100 GPU: | ns/day = 611.08
JAC_PRODUCTION_NPT - 23,558 atoms PME 2fs
-----------------------------------------
1 x H100 GPU: | ns/day = 741.10
1 x 4090 GPU: | ns/day = 842.69
1 x 6000ADA GPU: | ns/day = 806.03
1 x 4070TI GPU: | ns/day = 666.18
1 x 3090 GPU: | ns/day = 595.28
1 x A100 GPU: | ns/day = 610.09
FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME
-------------------------------------------
1 x H100 GPU: | ns/day = 389.18
1 x 4090 GPU: | ns/day = 466.44
1 x 6000ADA GPU: | ns/day = 447.05
1 x 4070TI GPU: | ns/day = 301.03
1 x 3090 GPU: | ns/day = 264.78
1 x A100 GPU: | ns/day = 271.36
FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME
-------------------------------------------
1 x H100 GPU: | ns/day = 357.88
1 x 4090 GPU: | ns/day = 433.24
1 x 6000ADA GPU: | ns/day = 420.95
1 x 4070TI GPU: | ns/day = 279.19
1 x 3090 GPU: | ns/day = 248.65
1 x A100 GPU: | ns/day = 252.87
CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME
--------------------------------------------
1 x H100 GPU: | ns/day = 119.27
1 x 4090 GPU: | ns/day = 129.63
1 x 6000ADA GPU: | ns/day = 119.10
1 x 4070TI GPU: | ns/day = 69.30
1 x 3090 GPU: | ns/day = 63.23
1 x A100 GPU: | ns/day = 85.23
CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME
--------------------------------------------
1 x H100 GPU: | ns/day = 108.91
1 x 4090 GPU: | ns/day = 119.04
1 x 6000ADA GPU: | ns/day = 110.92
1 x 4070TI GPU: | ns/day = 64.65
1 x 3090 GPU: | ns/day = 58.30
1 x A100 GPU: | ns/day = 77.98
STMV_PRODUCTION_NPT - 1,067,095 atoms PME
-----------------------------------------
1 x H100 GPU: | ns/day = 70.15
1 x 4090 GPU: | ns/day = 78.90
1 x 6000ADA GPU: | ns/day = 71.68
1 x 4070TI GPU: | ns/day = 37.31
1 x 3090 GPU: | ns/day = 38.65
1 x A100 GPU: | ns/day = 52.02
TRPCAGE_PRODUCTION - 304 atoms GB
---------------------------------
1 x H100 GPU: | ns/day = 1413.28
1 x 4090 GPU: | ns/day = 1482.22
1 x 6000ADA GPU: | ns/day = 1393.89
1 x 4070TI GPU: | ns/day = 1519.47
1 x 3090 GPU: | ns/day = 1225.53
1 x A100 GPU: | ns/day = 1040.61
MYOGLOBIN_PRODUCTION - 2,492 atoms GB
-------------------------------------
1 x H100 GPU: | ns/day = 1094.48
1 x 4090 GPU: | ns/day = 929.62
1 x 6000ADA GPU: | ns/day = 951.43
1 x 4070TI GPU: | ns/day = 757.91
1 x 3090 GPU: | ns/day = 621.73
1 x A100 GPU: | ns/day = 661.22
NUCLEOSOME_PRODUCTION - 25,095 atoms GB
---------------------------------------
1 x H100 GPU: | ns/day = 37.68
1 x 4090 GPU: | ns/day = 36.90
1 x 6000ADA GPU: | ns/day = 33.85
1 x 4070TI GPU: | ns/day = 21.34
1 x 3090 GPU: | ns/day = 21.08
1 x A100 GPU: | ns/day = 29.66
All the best
Ross
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Received on Tue Mar 21 2023 - 13:30:04 PDT
