Re: [AMBER] QM/MM interfacing Gaussian

From: case <>
Date: Sat, 26 Oct 2013 09:01:05 -0400

On Sat, Oct 26, 2013, Ahmed Ayoub wrote:
> I'm trying to run Amber on a QM/MM minimization with Gaussian interface and
> Sander keeps complaining that it doesn't find g09. I keep getting this
> error:
> * SANDER BOMB in subroutine check_installation (qm2_extern_gau_module)
> Executable g03 or g09 not found
> Please check your Gaussian installation*
> Strangely, g09 is in the path and I always include it even in the job
> script and still it doesn't work. It runs on the command line though, but
> not on the queue.

When you say "it runs on the command line", do you mean g09 or sander? This
sounds like a problem with your queuing system not having the desired PATH,
which may be hard to debug remotely.


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Received on Sat Oct 26 2013 - 06:30:02 PDT
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