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