Hi Diane,
On May 3, 2006, at 5:45 PM, Diane Fournier wrote:
It seems that in my case this is a bug (see Bugzilla, bug # 74)
related to using the Intel Math Kernel Library (MKL) v. 8.0.1 for
Fourier transforms. The team managing the Altix are trying
different FFT libraries. Eric Lindahl says that using a FFT library
that is not optimized for Itanium 2 shouldn't hamper the perfomance
very much since FT doesn't represent a very big part of the
computation.
For reference, that bug probably isn't in Gromacs, but the ia64 (not
i386 or x86-64) version of MKL. Still haven't been able to confirm
it, though.
Cheers,
Erik
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