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

Michel Cuendet michel.cuendet at epfl.ch
Tue Jan 25 17:43:41 CET 2005

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.


David van der Spoel wrote:

>On Thu, 30 Dec 2004, Marco Matthies wrote:
>>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.
>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 
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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