[gmx-developers] make install-mdrun

[Szilárd Páll]

On Sat, Oct 20, 2012 at 5:43 PM, Mirco Wahab <wahab-mail at gmx.de> wrote:

> On 19.10.2012 16:51, Carsten Kutzner wrote:
>
>> Yes, this is what happens if I get the newest version:
>>
>
> I tested this on a fresh-set up SuSE 12.2 x64 having a workable
> CUDA5.0 installation - it installs fine under "some conditions".
>
> A newer cmake (2.8.9) came "accidentially" through build.opensuse.org/KDE
> repository. The compiler is gcc 4.3.4.
>
> One has now explicitely(?) to disable GPU acceleration
> by -DGMX_GPU=OFF - is this correct?
>

Yes, but not for long.


> gcc 4.3.4  CUDA5        build ok,   full install ok (gpu build)
>
> gcc 4.7.2  CUDA5        build fail,    -
>

That's I assume because CUDA 5 is officially not compatible with gcc 4.7.
It has worked for me se you can just edit cuda/include/host_config.h and it
should all work fine.


> gcc 4.7.2  GMX_GPU=OFF  build ok,   install-mdrun fail (*)
> gcc 4.7.2  GMX_GPU=OFF  build ok,   full install ok (w/o gpu)
>
> icc 13.0.0 CUDA5        build fail,    -
>

That should work out of the box -- unless you're using an fftw that is
older than 3.3.1. What error are yo getting?


> icc 13.0.0 GMX_GPU=OFF  build ok,   install-mdrun fail  (*)
> icc 13.0.0 GMX_GPU=OFF  build ok,   full install ok (w/o gpu)
>
> * -
>
> [100%] Installing mdrun
> -- Install configuration: "Release"
> -- Install component: "libraries"
> CMake Error at /home/carlo/Software/Gromacs/**build/src/gromacs/cmake_**install.cmake:76
> (FILE):
>   file INSTALL cannot find
>
> "/home/carlo/Software/Gromacs/**build/src/gromacs/CMakeFiles/**
> CMakeRelink.dir/libgromacs.so.**6".
>
> Call Stack (most recent call first):
>   /home/carlo/Software/Gromacs/**build/src/cmake_install.cmake:**51
> (INCLUDE)
>   /home/carlo/Software/Gromacs/**build/cmake_install.cmake:39 (INCLUDE)
>
>
>
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