Re: [AMBER] Terachem tests with trial version

From: Fabrício Bracht <fabracht1.gmail.com>
Date: Thu, 24 Oct 2013 05:12:26 -0200

Hi Ross. Thank you very much for the reply. I'll check on that.
Em 23/10/2013 21:41, "Ross Walker" <ross.rosswalker.co.uk> escreveu:

> Hi Fabricio,
>
> There is nothing in the AMBER code relating to licensing and nothing that
> could produce that error message so it either has to be coming from your
> TeraChem installation or from your MPI installation. I don't know if the
> trial version of TeraChem supports the interface to AMBER via MPI - you
> might want to check with them to be sure.
>
> The other possibility is that when you run with MPI it is losing your
> environment variables and thus the license info for Terachem. Take a look
> and see if there is a way to export environment variables for the version
> of mpi you are using. Often there is an argument like '-env' or something
> similar you can provide to mpirun or mpiexec to export your environment.
>
> All the best
> Ross
>
>
>
> On 10/23/13 1:24 PM, "Fabrício Bracht" <fabracht1.gmail.com> wrote:
>
> >I will. But I'm pretty sure its an amber problem.
> >Em 23/10/2013 15:40, "Andreas Goetz" <agoetz.sdsc.edu> escreveu:
> >
> >> I suggest you contact terachem support.
> >>
> >> All the best,
> >> Andy
> >> --
> >> Dr. Andreas W. Goetz
> >> Assistant Project Scientist
> >> San Diego Supercomputer Center
> >> Tel : +1-858-822-4771
> >> Email: agoetz.sdsc.edu
> >> Web : www.awgoetz.de
> >>
> >> On Oct 23, 2013, at 12:21 AM, Fabrício Bracht wrote:
> >>
> >> > Hi, before purchasing terachem I thought I would give it a try with
> >>the
> >> > trial version first. Calculations with terachem "solo" work just
> >>fine, no
> >> > complaints there, but when I try any of the tests with amber qmmm, I
> >>get
> >> > the message:
> >> >
> >> > The license has expired: The license time expired on 2013-9-01
> >> >
> >> > How could that be? The trial version was installed yesterday.
> >> > Any ideas?
> >> > Thanks
> >> > Fabrício
> >> > _______________________________________________
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> >>
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Received on Thu Oct 24 2013 - 00:30:03 PDT
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