Re: [AMBER] Trouble installing pbsa cuda code

From: David A Case <david.case.rutgers.edu>
Date: Thu, 22 Oct 2020 15:59:18 -0400

On Thu, Oct 22, 2020, Wes Smith wrote:

>> error: #error -- unsupported GNU version! gcc versions later than 8 are not
>> supported!

This message comes from NVIDIA, not from any Amber code. You can either
install gcc8 and use that, or move to CUDA 11. See:

   https://docs.nvidia.com/cuda/cuda-installation-guide-linux/index.html

Note: please don't try gcc10 (yet): there are a few pieces of AmberTools
that don't work with gcc10.

Second note: upgrading to CUDA 11 won't help if you need amber18 GPU
code; you'll have to downgrade gcc. Amber20 is fine with CUDA 11.

>
>Anyone know how to fix this error? I would perfer not having to install a
>separate, older, version of GCC just to run amber18 if possible as this
>could lead to a lot of complications since all our system library files
>seem to be compiled using the newer gcc...

You don't need to install gcc8 on the system, or even have root
privileges: just put gcc8 somewhere (say in a folder under your home
directory). Then create a ~/gcc8bin folder that links gfortran, gcc and
g++ to the gcc8 binaries. Finally, put ~/gcc8bin at the start of your
PATH. Your amber build will then use gcc8. Remove ~/gcc8bin from your
PATH once you are done, and you'll be back to gcc9.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 22 2020 - 13:00:02 PDT
Custom Search