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

[Mikhail Stukan]

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 .. -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DCUDA_HOST_COMPILER=/usr/bin/gcc -DCUDA_PROPAGATE_HOST_FLAGS=OFF
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.

Thanks and regards,
Mikhail