[gmx-developers] make install-mdrun

[Szilárd Páll]

On Wed, Oct 24, 2012 at 12:04 PM, Carsten Kutzner <ckutzne at gwdg.de> wrote:

>  On 10/20/2012 07:46 PM, Szilárd Páll wrote:
>
> 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?
>
> Hi,
>
> is icc 13 required for building 4.6 with GPU support or should icc 12 do
> as well?
>

I'm ont entirely sure about the officially supported versions, but both 12
and 13 work fine.

--
Szilárd


>
>
> Carsten
>
>
>
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