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

[Jernej Zidar]

No. gmx-developers is Gromacs development related issues. Installations &
co. are for gmx-users.

Jernej

On Fri, 11 Oct 2019 at 18:10, Mahmood Naderan <nt_mahmood at yahoo.com> wrote:

> Thanks. I thought general list is about gromacs/molecular logistics.
>
>
> Regards,
> Mahmood
>
>
> On Friday, October 11, 2019, 1:27:29 PM GMT+3:30, Jernej Zidar <
> jernej.zidar at gmail.com> wrote:
>
>
> 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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