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AMBER20 HPC benchmark on NVIDIA Ampere family cards. RTX-3070 vs RTX-3070Ti vs RTX 3080Ti vs 3090

Amber-image

Since the release of NVIDIA Ampere cards (30xx family) AMBERMD has not published AMBER20 performance data using these graphics cards.

The most recent comparison can be found on the Exxact website at the following link.

https://www.exxactcorp.com/blog/Molecular-Dynamics/rtx3090-benchmarks-for-hpc-amber-a100-vs-rtx3080-vs-2080ti-vs-rtx6000

However, there are no numbers for the 3070Ti and 3080Ti models.

With this post we want to fill that gap and update the numbers for the first 3 examples of the Amber20 benchmark test (JAC Production NVE 4f , JAC Production NPT 4fs, JAC Production NVE 2fs). (RTX 3090 data is taken from the Exxact test.

The rest of the data are from our Workstations)

Workstation System:

3070 and 3070 Ti

CPU: Core i9 10900X 10 cores

Boot disk: 1M.2 NVMe 1TB

Operating system: Rocky Linux 8.5

3080 Ti

CPU: AMD Ryzen 24cores

Boot disk: 1M.2 NVMe 1TB

Operating system: Rocky Linux 8.5

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