[gmx-users] Intel and GNU compiler

[David]

On Tue, 2005-08-09 at 13:33 -0700, leafyoung81-group at yahoo.com wrote:
> Hi,
> 
> I found that intel C/C++ compiler (v9.0) generates a
> mdrun (fftw by icc) which will returns different
> topology after each run. Both x86 and x86_64 behaved
> the same. Effects from the mdp files shall be excluded
> (no_gen=yes).
mdrun does not generate topologies.

please explain.
> 
> Is this cautious that we shall avoid using icc?
In my tests gcc 3.4.3 gives very good performance. Intel nor Pathscale
improved it by more than 1-2%.

> 
> Yang Ye
> 
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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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