[gmx-users] GROMACS 4.6 with GPU acceleration (double presion)

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 9 18:52:12 CEST 2013

On 2013-04-09 18:06, Mikhail Stukan wrote:
> Dear experts,
> I have the following question. I am trying to compile GROMACS 4.6.1 with GPU acceleration and have the following diagnostics:
> CMake Error at cmake/gmxManageGPU.cmake:46 (message):
> GPU acceleration is not available in double precision!
> Call Stack (most recent call first):
> CMakeLists.txt:143 (include)
> Are there any plans to have double precision with GPU acceleration in the  coming version of GROMACS or this will not happen in the nearest future.
The hardware does not support it yet AFAIK.

> Thanks and regards,
> Mikhail

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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