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

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 30 20:46:23 CET 2004

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 

>Ahh, i just wish I had one of those... but Santa crossed that one off my 
>wishlist ;)
>Happy New Year,
>Michel Cuendet wrote:
>> Hi,
>>>> I have read the following in the website of gromacs. Recently I want 
>>>> to compile the gromacs code in our Itanium 2(1.G) cluster, but I find 
>>>> that the efficient is less than the Petiume 4 cpu(2.8G). I think if I 
>>>> can enable the fortran inner loops, It may be fast than the Petiume 4 
>>>> right? Can anyone tell me how to enable it?
>>> ./configure --enable-fortran
>>> It will not be faster than P4.
>> It would be much faster with the itanium2 assembly loops. I've been 
>> desperately
>> waiting for them. The worst part is that they are already implemented, 
>> and I've
>> been crying and begging for them, but they are waiting next version of 
>> gromacs
>> to release them.... If there is a running beta version somewhere, or a 
>> doable
>> way to hack it into an existing version, please, gromacs developpers, 
>> let us know !!
>> Cheers, happy new year,
>> Michel Cuendet
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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