[gmx-users] Status of GROMACS native Windows Builds

[Mark Abraham]

Hi,

Great. If you use e.g. a tarball from https://gerrit.gromacs.org/#/c/8948/ then
I hope that the std::max issue will be fixed (but you still need the other
workarounds)

Mark

On Thu, Jan 10, 2019 at 3:38 PM Wahab Mirco <
Mirco.Wahab at chemie.tu-freiberg.de> wrote:

> Hi Mark,
>
> thanks for your reply.
>
> On 10.01.2019 12:02, Mark Abraham wrote:
> >> -- Check for working NVCC/C compiler combination - broken
> >>> CMake Error at cmake/gmxManageNvccConfig.cmake:185 (message):
> >>>     CUDA compiler does not seem to be functional.
> >>> Call Stack (most recent call first):
> >>>     cmake/gmxManageGPU.cmake:204 (include)
> >>>     CMakeLists.txt:590 (gmx_gpu_setup)
> >>>
> >>
> > This check isn't functional on Windows, but nvcc might be. Please try
> > setting cmake -DGMX_NVCC_WORKS=1 for now, and see how you go. I have
> > proposed a fix for 2019.1 that will stop trying to make this check.
> >
>
> This option works for cmake, leading to the compilation error (similar
> error as with OpenCL) with VC's std::max (<algorithm>):
>
> 7>Building NVCC (Device) object
>
> src/gromacs/CMakeFiles/libgromacs.dir/ewald/Release/libgromacs_generated_pme-gpu-internal.cpp.obj
> 7>pme-gpu-internal.cpp
> 7>D:/LibSrc/Gromacs2019/gromacs-2019/src/gromacs/ewald/pme-gpu-internal.cpp(1135):
>
> error : no instance of overloaded function "std::max" matches the
> argument list
> 7>            argument types are: (unsigned long long, unsigned long)
> 7>
>
> So, GROMACS 2019 + CUDA on Windows appears close! Maybe I can
> look into the sources on the weekend if I got some spare time.
>
> Thanks & regards
>
> M.
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