[gmx-users] documentation, GPU, 4.6-manual
jalemkul at vt.edu
Sun Feb 10 20:40:02 CET 2013
On 2/10/13 4:25 AM, michael.b wrote:
> i just downloaded the 4.6. manual.
> It seems as if in there the documentation of the GPU code and its
> usage are still those for 4.5, and i believe that this has changed
> considerably between the two versions.
This is true. Most of what is in the manual is no longer useful.
> Has anybody found documentation about the most current GPU
It's a work in progress. We expect the manual to be current with respect to GPU
stuff by 4.6.1.
> In particular I would like to know whether i can combine:
> i) free energy calculations
> ii) user defined tabulated potentials
> iii) a combination of i and ii
> with execution on GPUs?
None of those are supported.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users