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.
Performance
Acknowledgment
We thank NVIDIA for the donation of a Tesla K40c
