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

[Michel Cuendet]

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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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 21 693 0324
lcbcpc21.epfl.ch/~mitch	                       +41  1 633 4194
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