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
error.
========
./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
AMBER_PREFIX=/home/coto/software/amber20_src
AMBER_SOURCE=/home/coto/software/amber20_src
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,
update.11
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
Indonesia
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Received on Wed Nov 18 2020 - 04:00:02 PST
