[gmx-users] Re: How to enable fortran inner loops in Itanium 2
David van der Spoel
spoel at xray.bmc.uu.se
Fri Dec 31 12:38:47 CET 2004
On Wed, 29 Dec 2004, Michel Cuendet wrote:
>>>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,
try the latest CVS version
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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