[gmx-developers] compiling parallel on amd64

[David van der Spoel]

On Thu, 2005-11-17 at 11:09 +0000, Julie Harold wrote:
> Hi,
> 
> can anyone tell me the right flags for compiling parallel gromacs on
> amd64.  We have pgi compilers, fftw-2.1.5, and need it to be 64 bit.
Do yourself a favor and use gcc. Less hassle and faster code. The one
thing you don't mention is which gromacs version. For 3.3 you want to
use fftw 3.0.1
> 
> thanks,
> 
> Julie
-- 
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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