Nvidia has announced that four leading applications for material-science and biomolecular modelling - LAMMPS, GROMACS, GAMESS and QMCPACK - have added support for multiple GPU acceleration, enabling them to cut simulation times from days to hours.
As a result, scientists can study larger molecular models for longer time periods with greater accuracy, leading to increased knowledge of the potential impact of drugs and the effectiveness of new materials. Drug developers could also benefit from shorter discovery times and lower development costs.
'Wide access to inexpensive, energy efficient supercomputing enabled by GPUs has the potential to accelerate the pace of scientific research,' Sumit Gupta, manager of the Tesla business unit at Nvidia. 'The benefit of this computing power to science is significant, such as enabling researchers to more quickly and accurately simulate biological behaviour of protein and drug candidate interactions prior to expensive and time-consuming animal studies and patient trials.'
