November 21, 2014

Benchmark of SIRAH force field on NVIDIA Tesla K40c

We are pleased to announce the results on performance of SIRAH force field running on GPU for two popular MD codes. The set of examples comes from our tutorials, which include coarse-grained (CG) and multiscale (all-atoms (AA)/CG) systems.

Hardware specifications
CPU: ASUS P9X79-WS,  Intel Core i7-4820K (over-clocked to 4.5GHz)
GPU: Tesla K40c

Software specifications
OS: Ubuntu 14.04 LTS
NVIDIA driver: 340.58
CUDA version: 6.5
Compiler: gcc 4.8.2
MD packages: GROMACS 4.6.7, AMBER 14

Input files
The run options were taken from our tutorials.


We thank NVIDIA for the donation of a Tesla K40c