Re: [AMBER] Amber11 tests fail

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 21 Jan 2012 10:28:41 -0500

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
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Received on Sat Jan 21 2012 - 07:30:03 PST