Re: [AMBER] Amber11 tests fail

From: Massimiliano Porrini <mozz76.gmail.com>
Date: Sun, 22 Jan 2012 09:56:09 +0000

I've just noticed that the two files are identical because $AMBERHOME/src/config.h
is a symbolic link to $AMBERHOME/AmberTools/src/config.h .

Besides I installed AT1.5 about 3/4 months ago and I followed the
detailed procedure, applying all the bug fixes. Indeed I've used many
AT commands without any troubles so far.

By the way I'm going to re-install both AT1.5 and Amber11 with the help of your link.

Many thanks for this.
Best,


Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ

Tel +44-(0)131-650-5229

E-mails : M.Porrini.ed.ac.uk
            mozz76.gmail.com
            maxp.iesl.forth.gr

On 21 Jan 2012, at 15:28, Jason Swails <jason.swails.gmail.com> wrote:

> If that is the same config.h file as before, then AT15_Amber11.py has not been run (which also means that not all of the AmberTools bug fixes have been applied.
>
> Either run that script or apply all of the bug fixes for both Amber 11 and AmberTools 1.5.
>
> You can see detailed instructions at http://jswails.wikidot.com where there is a page dedicated to installing Amber 11 and AmberTools 1.5.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On Jan 21, 2012, at 7:35 AM, Massimiliano Porrini <mozz76.gmail.com> wrote:
>
>> Sorry, here is the config.h file.
>> Cheers,
>>
>>
>> Dr Massimiliano Porrini
>> Institute for Condensed Matter and Complex Systems
>> School of Physics & Astronomy
>> The University of Edinburgh
>> James Clerk Maxwell Building
>> The King's Buildings
>> Mayfield Road
>> Edinburgh EH9 3JZ
>>
>> Tel +44-(0)131-650-5229
>>
>> E-mails : M.Porrini.ed.ac.uk
>> mozz76.gmail.com
>> maxp.iesl.forth.gr
>>
>> Begin forwarded message:
>>
>>> From: max.complexity1.site
>>> Date: 21 January 2012 12:17:31 GMT
>>> To: mozz76.gmail.com
>>> Subject: Amber11 cuda config file
>>>
>>> Amber11 cuda config file created via ./config cuda gnu
>> _______________________________________________
>> AMBER mailing list
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>> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sun Jan 22 2012 - 02:00:03 PST
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