Re: [AMBER] Amber on GPU

From: David A Case <>
Date: Thu, 20 Sep 2018 12:14:54 +0100

On Thu, Sep 20, 2018, emanuele falbo wrote:
> I would like to use the AMBER on the GPU-machine. However, I don't know
> whether there is any difference in installing AMBER on GPU-machine from the
> normal procedure for the CPU-machines?

Please see the installation instructions in the Amber 2018 Reference
Manual. Basically, you need to install the CPU version (using the
configure script in your AMBERHOME directory); after that, re-running
configure with the "-cuda" option will install GPU versions.


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Received on Thu Sep 20 2018 - 04:30:02 PDT
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