[gmx-users] Errors while building with Cuda 9.0

[Szilárd Páll]

Hi,

You really should update to 2016.4, but if you for som reason can not, you
can pass the target CUDA architectures to CMake;  see GMX_CUDA_TARGET_SM
documented here:
http://manual.gromacs.org/documentation/2016.4/install-guide/index.html#cuda-gpu-acceleration

--
Szilárd

On Tue, Jan 23, 2018 at 8:50 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> CUDA 9 was not supported before GROMACS 2016.4, so you can either use a
> newer GROMACS or an older CUDA.. Unfortunately, in that version, NVIDIA
> removed support for older GPUs, which GROMACS supported with such
> compilation flags.
>
> Mark
>
>
> On Tue, Jan 23, 2018 at 12:48 AM Kevin Chen <fch6699 at gmail.com> wrote:
>
> > Dear Gromacs Users,
> >
> > I got the following error while building V2016.3 using CudaV9.0. Anybody
> > has
> > a quick fix for it?
> >
> >
> > ============================================================
> ================
> > ======
> > "nvcc fatal   : Unsupported gpu architecture 'compute_20'
> > nvcc fatal   : Unsupported gpu architecture 'compute_20'
> > CMake Error at
> > libgromacs_generated_nbnxn_cuda_data_mgmt.cu.o.Release.cmake:218
> > (message):"
> >
> >
> > ============================================================
> ================
> > ======
> >
> > Modules used for building:
> >
> >
> > ============================================================
> ================
> > =====
> > Currently Loaded Modules:
> >   1) intel/17.0.4      3) cmake/3.7.1
> >   2) impi/17.0.3    4) cuda/9.0 (g)
> >
> >
> > ============================================================
> ================
> > ====
> >
> >
> > Thanks in advance!
> >
> > Kevin
> >
> >
> >
> > --
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