From: Goetz, Andreas via AMBER <amber.ambermd.org>
Date: Fri, 10 Jan 2025 20:27:57 +0000
As Tim pointed out this error is not related to QUICK or Amber.
The CUDA driver installed on the computer you are trying to run the simulations is too old for the CUDA version that you used to compile Amber. You have to upgrade the CUDA driver or use an older CUDA development toolkit for compilation and runtime.
All the best,
Andy
—
Dr. Andreas W. Goetz
Associate Research Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
On Jan 10, 2025, at 10:28 AM, Kankana Bhattacharjee via AMBER <amber.ambermd.org> wrote:
Ok. Thanks a lot.
Is there any other way to fix this issue? I mean by using quick utilities.
On Fri, Jan 10, 2025, 23:23 Timothy Giese <giese025.rutgers.edu> wrote:
"It seems the current installed cuda version is incompatible with the cuda
which is required for sander.quick.cuda. Kindly suggest how can I fix
this?"
This cannot be fixed by adjusting your amber input files. As you appear to
understand, you will need to install a more recent cuda version. You will
need to contact your local computer administrator to install it for you, or
you could try to install and configure it yourself. Here is a link to
nvidia's website with instructions on how to install cuda. The nvidia
website also contains a forum where you can ask for additional help on how
to install cuda.
