[gmx-developers] Unable to build with double precision switch

Jernej Zidar jernej.zidar at gmail.com
Fri Oct 11 11:57:29 CEST 2019


The message says it all: double precision with GPU is not supported.
There's almost no reason to use double precision for normal MD.

On Fri, 11 Oct 2019 at 17:47, Mahmood Naderan <nt_mahmood at yahoo.com> wrote:

> Hi,
> With 2019.4 version, I get this error
>
> CMake Error at cmake/gmxManageGPU.cmake:50 (message):
>   GPU acceleration is not available in double precision!
>
>
> in spite that I have specified these options:
>
>
> cmake .. -DGMX_GPU=on -DGMX_BUILD_OWN_FFTW=ON -DGMX_CUDA_TARGET_SM=52
> -DGMX_DOUBLE=on
>
>
> The device is M2000. Is that normal?
>
>
> Regards,
> Mahmood
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