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

[David van der Spoel]

On Wed, 2004-12-22 at 16:23 +0800, PeiQuan Chen wrote:
> Dear gmx-users，
> 
> 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.

> 
> Thank you.
> 
> The Itanium doesn't have assembly inner loops, but we used fortran inner loops (that requires some tweaking and is not enabled by default since the intel compiler linking stage is quite buggy) with version 5.0.1 of the Intel C and Fortran compiler	
> 
> Sincerely yours
> ----
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen, Ph.D Student, Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone:	(86)2223507510(HOME) (86)23505264 Mobile Phone: (+86)13920675030
> pqchen at mail.nankai.edu.cn
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> 
> 
> 
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-- 
David.
________________________________________________________________________
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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