[gmx-users] Compiling on Opteron

Pim Schravendijk schraven at mpip-mainz.mpg.de
Mon Jul 19 19:58:43 CEST 2004

> We have a new 30 processor Opteron cluster running RedHat Enterprise 
> Ed. 3 Linux that I am trying to compile GROMACS on.  My first problem 
> is with the installation of FFTW.  The configure doesn't recognize 
> the CPU type.  I am very new to this environment and so I'm not sure 
> if I should be setting some special options or trying to edit the 
> configure file.  Does anyone have suggestions?
> My next step will then be to compile GROMACS and my search of the 
> list archives doesn't reveal any particular discussions relative to 
> the Opteron though I do note that people have been successful at 
> getting it to run.
> Thanks in advance for any help you can provide.
> Amil Anderson
> Chemistry Department
> Wittenberg University
> Springfield, OH 45501

As far as I remember there were at least some who managed to install it on 
opteron, my problem was that I couldn't get full performance from it 
(almost half of the precompiled binary), some installation parameters must 
have been wrong here. You can try to use the compiled i386 binary it 
should be able to run. FFTW install was no problem for me, did you use the 
latest 2.1.5 fftw (or maybe there is an even newer one)?

Pim Schravendijk - PhD Student
Max Planck Institute for Polymer Research

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