Re: [AMBER] Terachem tests with trial version

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 23 Oct 2013 16:38:03 -0700

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
>> > _______________________________________________
>> > AMBER mailing list
>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
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Received on Wed Oct 23 2013 - 17:00:02 PDT
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