Re: [AMBER] Problem regarding the cuda installation using NetCFD.

From: David A. Case <>
Date: Sun, 21 Jul 2013 23:58:39 -0400

On Sun, Jul 21, 2013, ANDREI LEITaO wrote:
> I have Amber12 and Ambertools13 on my workstation and I installed the
> basic version without any problem using the information provided in this
> site:

This is not very helpful: seems to point to things about parallel cuda, not to
the basic installation. There is (almost) nothing at on this page about the
--with-netcdf option.

> I had to specify the netCDF file to run the installation.
> ./configure --with-netcdf /usr/local/bin/amber12/AmberTools/ gnu

Why? What happened if you didn't do that? What is your AMBERHOME variable
set to? It's quite unusual to have an amber12 directory inside
> However, when I try to install the CUDA version using the same netcdf path, I get the following problem:
> ./configure --with-netcdf /usr/local/bin/amber12/AmberTools/ -cuda gnu
> #(no problem at this step)

Again, why not just go with the defaults? I'm guessing it's far easier to
figure out what went wrong at an early stage with netcdf done the default way.


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Received on Sun Jul 21 2013 - 21:00:03 PDT
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