[gmx-users] Re: How to enable fortran inner loops in Itanium 2

[Michel Cuendet]

Hi all,

I tried the CVS version on the itanium2 :

- Single precision crashes.
- Double precision is 40% faster
- Results are not similar to 3.2.1, in particular kinetic energy.

I wouldn't really recomment that one right now... but at leat it shows 
that speed improvement is at hand.

Michel

David van der Spoel wrote:

>On Thu, 30 Dec 2004, Marco Matthies wrote:
>  
>
>>Hi,
>>
>>you could always try out the CVS version, though i don't have the 
>>slightest clue if it's stable at the moment and if IA-64 assembly inner 
>>loops actually work as I don't have an Itanium :) But there are 
>>directories and there is code in them, so you might want to give it a shot.
>>    
>>
>>http://www.gromacs.org/developer/cvs_usage.php
>>    
>>
>
>that would be very interesting to try, since Erik just uploaded the 
>itanium stuff. be prepared to recompile, but try to make it work with cvs, 
>it would definitely help us, developers if people test it, and do smoe 
>benchmarks.
>  
>
-- 
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Michel Cuendet, Ph.D. student
Laboratory of Computational Biochemistry and Chemistry
Swiss Federal Institute of Technology in Lausanne (EPFL)
CH-1015 Lausanne						
Switzerland                         	Phone : +41 1 693 0324
lcbcpc21.epfl.ch/~mitch                        +41  1 633 4194
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