[gmx-users] Errors while building with Cuda 9.0

[Mark Abraham]

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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