[gmx-users] compiling on opteron

[David]

On Tue, 2004-05-18 at 15:01, Pim Schravendijk wrote:
> Hello,
> 
> Just this day I have access to an 2 Ghz opteron cluster. I did the simple 
> 1pcu villin benchmark just now and got a speed of 5824 ps/day, which is 
> almost half of what I would expect from the results David had in his mail 
> from Nov 12th. Are there any special options I have to add during 
> configure? I just used the standard gnu c compiler, fftw was installed in 
> single mode and seemed to work allright.

is this single precision and/or are the SSE loops used?

> 
> gromax/gromacs-3.2.1> gcc -v
> Reading specs from /usr/lib64/gcc-lib/x86_64-suse-linux/3.3.1/specs
> Konfiguriert mit: ../configure --enable-threads=posix --prefix=/usr 
> --with-local-prefix=/usr/local --infodir=/usr/share/info 
> --mandir=/usr/share/man --libdir=/usr/lib64 
> --enable-languages=c,c++,f77,objc,java,ada --disable-checking 
> --enable-libgcj --with-gxx-include-dir=/usr/include/g++ 
> --with-slibdir=/lib64 --with-system-zlib --enable-shared 
> --enable-__cxa_atexit x86_64-suse-linux
> Thread model: posix
> gcc-Version 3.3.1 (SuSE Linux)
> 
> Hope someone has some tips here (within short time)
> 
> Greetings, Pim
> 
> --
> Pim Schravendijk - PhD Student
> Max Planck Institute for Polymer Research
> http://www.mpip-mainz.mpg.de/~schraven/
> 
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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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