[AMBER] Unsupported Cuda Version on Amber 20 Installation

From: Setyanto Md <stwahyudi.md.gmail.com>
Date: Wed, 18 Nov 2020 18:57:36 +0700

Dear Amber User dan Developer,

I'm Setyanto from IPB University. We just got Amber 20 today.
I'll try to install Amber 20 on our server. Our server has NVIDIA Card RTX
3080, with OS Ubuntu 20, and processor from AMD threadripper 3970X.

installation in serial and parallel have been successful.
But we have a problem when using the -cuda flag. This is a copy of the
./configure --with-python /usr/bin/python -cuda gnu
Checking for updates...
Checking for available patches online. This may take a few seconds...

Available AmberTools 20 patches:

No patches available

Available Amber 20 patches:

No patches available


MKL_HOME is set and no math libraries specified; using Intel MKL.
Specify '-nomkl' to prevent this behavior.

Using requested Python: /usr/bin/python; version 3.8.5
Error: Unsupported CUDA version 11.1 detected.
       Amber requires CUDA version 7.5, 8.0, 9.0-9.2, or 10.0-10.2
Configure failed due to the errors above!

According to Ross Walker here: http://archive.ambermd.org/202010/0081.html
It should be well installed.

Our Cuda Version: CUDA Version: 11.1
Driver Version: 455.23.05

I've been making updates before configure.
Here I check for the update:
./update_amber --show-applied-patches
AmberTools 20 Applied Patches:
update.1, update.2, update.3, update.4, update.5, update.6, update.7,
update.8, update.9, update.10,

Amber 20 Applied Patches:
update.1 (modifies pmemd)
update.2 (modifies pmemd.cuda)
update.3 (modifies pmemd, and, related, versions)
update.4 (modifies pmemd, pmemd.cuda)
update.5 (modifies pmemd, pmemd.cuda)
update.6 (modifies pmemd, interface, to, plumed)
update.7 (modifies pmemd.MPI)

for ./update_amber I use http://ambermd.org instead of https://ambermd.org.
Since there is another issue if I use https://ambermd.org.
The issue was : NoInternetAccess: Cannot connect to https://ambermd.org

Thank you for your attention and help. Please
Sincere yours

Setyanto Tri W
Biophysics Division,
Department of Physics - IPB University Indonesia
Gedung Fisika Wing-S Lt.2 Jl. Meranti
Kampus IPB Darmaga
Bogor - 16680
AMBER mailing list
Received on Wed Nov 18 2020 - 04:00:02 PST
Custom Search