Re: [AMBER] AMBER16 re-installation problem

From: David A Case <>
Date: Mon, 17 Dec 2018 08:31:09 -0500

On Mon, Dec 17, 2018, ilhan.yavuz wrote:
>AMBER16 is compatible with CUDA8.0 and lower. We recently formatted our
>local linux machine but the latest ubuntu 17 (or 18) only supports CUDA
>9.0 and higher provided by nvidia. Our graphic card is GTX 1080. We then
>reinstalled Ubuntu 16.04 including CUDA toolkit but then our AMBER16 does
>not recognize it. Looks like there is a problem with the configuration.

It's not clear what you mean by "AMBER16 does not recognize it". What
is the exact error message? Which version of CUDA do you have at that

You can try editing the AMBERHOME/AmberTools/src/configure2 file, to
change the allowed CUDA environments to include the one you have. (Search
for "cudaversion" in that file.) No guarantees, though.

I'd strongly recommend upgrading to Amber18: there are lots of
GPU-related code additions there. We back-ported a few of the most
crucial fixes back to Amber16, but GPU technology changes so quickly
that we cannot catch everything. With Amber18 you can use Ubuntu 18.04
(and probably 18.10, although I'm not sure anyone has tested that), and
cuda 9.2.


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Received on Mon Dec 17 2018 - 06:00:06 PST
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