[gmx-users] compiling on opteron

[Pim Schravendijk]

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.

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/