[gmx-users] pgcc problems in compile fftw

David spoel at xray.bmc.uu.se
Sat Oct 29 16:39:39 CEST 2005

On Sat, 2005-10-29 at 21:56 +0800, Mu Yuguang (Dr) wrote:
> Dear all,
> I cannot compile fftw mpi version using pgi compiler for linux X86_64.
> Do you have some suggestions?
This is not what you may want to hear, but use gcc. It generates faster
code (with flag -arch=opteron -tune=opteron) and works out of the box.

> Yuguang
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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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