
- #Compare gpu benchmarks update#
- #Compare gpu benchmarks upgrade#
- #Compare gpu benchmarks professional#
Next, from the human blood clotting system, Factor IX is a 379-residue protein also in a box of water, totaling 90,906 atoms. The smallest Dihydrofolate Reductase (DHFR) case is a 159-residue protein in water, weighing in at 23,588 atoms. We take as benchmarks four periodic systems spanning a range of system sizes and compositions. Learn more about the only AMBER Certified GPU Systems starting around $6,000ĪMBER 22 GPU Benchmark: JAC Production NVE 4fs AMBER 22 GPU Benchmark: JAC Production NPT 4fs AMBER 22 GPU Benchmark: JAC Production NVE 2fs AMBER 22 GPU Benchmark: JAC Production NPT 2fs AMBER 22 GPU Benchmark: FactorIX Production NVE 2fs AMBER 22 GPU Benchmark: FactorIX Production NPT 2fs AMBER 22 GPU Benchmark: Cellulose Production NVE 2fs AMBER 22 GPU Benchmark: Cellulose Production NPT 2fs AMBER 22 GPU Benchmark: STMV Production NPT 4fs AMBER 22 GPU Benchmark: TRPCage GB 2fs AMBER 22 GPU Benchmark: Myoglobin GB 2fs AMBER 22 GPU Benchmark: Nucleosome GB 2fs Note about AMBER Benchmarks (From Dave Cerutti)

For the larger simulations, such as STMV Production NPT 4fs, the H100's larger memory capacity, and the RTX 4090's higher clock speed pulls away from the others.However, the H100 offers far more scalability due to its data center nature! Leverage up to 8x NVIDIA H100s in a server or 4x in a workstation for unparalleled performance, something you cannot do with the 4090. NVIDIA H100 is on par as 3rd most powerful (behind the RTX 4090 and RTX 6000 Ada) winning in only a couple of tests.
#Compare gpu benchmarks upgrade#
The upgrade to an RTX 4070Ti shows considerable performance gain from the RTX 3090.Built for peak reliability, the RTX 6000 Ada is a hair behind in performance. RTX 6000 Ada has the same GPU dies as 4090.NVIDIA RTX 4090 is a definite winner as the single most powerful GPU in our tests.NVIDIA Ada Lovelace GPUs (RTX 4090, RTX 6000 Ada, RTX 4070Ti) outperform all Ampere models (A100, RTX 3090, RTX 3080) by a long shot.*** Since AMBER computations are only performed by GPUs via CUDA, the variation between CPUs from workstation and server systems should have little effect on comparisons between benchmarks.
#Compare gpu benchmarks professional#
All other NVIDIA Professional GPUs are tested in an Exxact server and support 8-way GPU configuration. **NVIDIA GeForce RTX GPUs were tested on an Exxact workstation and can have a maximum of a 2-way configuration.


NVIDIA CUDA 11.4 was also used for these benchmarks.
#Compare gpu benchmarks update#
*All benchmarks were performed using a single GPU configuration using Amber 22 Update 1 & AmberTools 22 Update 1. The following Amber 22 Benchmarks were performed on an Exxact AMBER Certified MD System using the AMBER 22 Benchmark Suite with the following GPUs: Updated: > NVIDIA RTX 6000 Ada Generation Benchmarks Updated: > NVIDIA H100 (PCIe)and RTX 4070 Ti AMBER Benchmarks Updated: > NVIDIA RTX 4090 AMBER Benchmarks Last Update: > Benchmarks UploadedĪMBER 22 GPU Benchmarks for Molecular Dynamics with NVIDIA Professional and Data Center GPUs
