В Wed, 18 Nov 2020 18:57:36 +0700
Setyanto Md <stwahyudi.md.gmail.com> пишет:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
Hello! Update with CUDA 11.1 support hasn't been released yet.
--
73, Viktor
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Received on Wed Nov 18 2020 - 07:00:03 PST
