[gmx-users] gromacs on GPU

[James Starlight]

Hi Szilárd!

As I understood you correctly gromacs-4.6 have specific algorithm
(independent on openMM?) for gpu-based calculations havent ? If it
true how I should compilate such new gpu-based gromacs? In the
gromacs-4.6-beta-3 folder I've found instructuon for the standart
installation via cmake

cmake PATH_TO_SOURCE_DIRECTORY -DGMX_OPENMM=ON -DGMX_THREADS=OFF


James

2013/1/7 Szilárd Páll <szilard.pall at cbr.su.se>:
> Szilárd