Hi Amberites,
For those who are interested here's benchmarks for Amber 20 on the latest GPUs. I'll add this to the website shortly.
CUDA 11.1
Amber 20 Update 6
AmberTools 20 Update 9
Driver 455.23.04
Throughput ns/day GPU Model
Benchmark RTX2080TI RTX6000 A100 PCIe RTX3090
JAC Production NVE 4fs 970.51 1034.88 1199.22 1196.5
JAC Production NPT 4fs 940.61 1004.03 1194.5 1157.76
JAC Production NVE 2fs 510.21 540.17 611.08 632.19
JAC Production NPT 2fs 488.36 515.86 610.09 595.28
FactorIX Production NVE 2fs 205.92 217.25 271.36 264.78
FactorIX Production NPT 2fs 189.99 206.00 252.87 248.65
Cellulose Production NVE 2fs 43.89 47.41 85.23 63.23
Cellulose Production NPT 2fs 40.77 45.24 77.98 58.31
STMV Production NPT 4fs 25.21 28.49 52.02 38.65
TRPCage GB 2fs 1151.74 1189.25 1040.61 1225.53
Myoglobin GB 2fs 505.93 600.83 661.22 621.73
Nucleosome GB 2fs 15.22 16.81 29.66 21.08
RTX3080 coming in a few days.
All the best
Ross
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Received on Sun Sep 27 2020 - 17:00:02 PDT
