[gmx-users] Error while re-compiling Gromacs 5.1.2 with GPU and gcc 5.3.1
pall.szilard at gmail.com
Tue May 31 22:41:57 CEST 2016
On Tue, May 31, 2016 at 10:25 PM, Szilárd Páll <pall.szilard at gmail.com> wrote:
> Just because gcc 5.3 and CUDA/nvcc 7.5 are in some Ubuntu repos (partner
> AFAIR), it does not mean they're automatically compatible. The NVIDIA
> documentation clearly indicates they're not.
> However, this typically means that minor issue can prevent building. In this
> case, it looks like a glibc/string.h issue (bug?) that was introduced
> recently .
My email client messed things up a bit, corrections below:
> The solution seems to be as simple as adding -D-DFORCEINLINES
> to the CUDANVCCFLAGS flags (credit ).
...adding -D-D_FORCE_INLINES to CUDA_NVCC_FLAGS.
>  https://fossies.org/diffs/glibc/2.22vs2.23/string/string.h-diff.html 
> On Tue, May 31, 2016 at 7:42 PM, Diogo Martins de Sá <sadiogo at mol.bio.br>
>> Hi Nikhil,
>> You can get CUDA toolkit 7.5 using apt-get install nvidia-cuda-dev
>> nvidia-cuda-toolkit. Also, if you open the link I've sent, you`ll see the
>> step on how to install directly from provider. NAMD ran with CUDA this way.
>> So it is supported. Installing directly with apt-get gives the same result
>> as the one I posted.
>> I just need some guidance as to what the error points to.
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