[gmx-users] Gromacs 5.1.4

[Mark Abraham]

Hi,

CUDA 9.0 doesn't support that ancient architecture, but old GROMACS code
didn't know that would happen. Either use an older CUDA or a newer GROMACS,
e.g. 2016.4.

Mark

On Tue, Oct 17, 2017 at 11:34 AM Chetan Puri <chetanpuris at gmail.com> wrote:

> I am trying to install Gromacs 5.1.4 on centos7 with gpu Tesla k40
> But on the make step I am getting error
> nvcc fatal : unsupported gpu architecture 'compute_20'
> So can anyone suggest how to resolve it.
> CHETAN
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