[gmx-users] GROMACS on Mac OS X

Yiannis Nicolis nicolis at guideo.fr
Mon Feb 4 20:01:59 CET 2002

I use gromacs on G3 and G4 machines. I had some problems with sed in 
config for makefiles generation in the 3.0x versions but they are all 
fixed in the 3.1 so you should not have any problems compiling 
gromacs. For fftw, there is a file to update as explained in the fftw 
site. I don't remember of something special about lesstif and xmgr 
but if you encounter any problems I would be glad to help.
As for benchmarking, I do not have a direct comparison as the other 
machines where we use gromacs are quite old: AMD K6-2 at 233MHz and 
Silicon Graphics at 200 MHz. They are used for teaching so speed is 
not an issue there, all the research job is made on the G4. I have to 
find the time to download and run the benchmarks from the gromacs web 

At 21:44 -0800 3/02/02, Donald E. Elmore wrote:
>Hi all--
>Our research group is planning on purchasing a new workstation, and were
>considering one of the new dual processor Mac G4 machines.  I remember
>people discussing running GROMACS under Mac OS X awhile ago, and I
>wondered what kinds of experiences they have had with that.  Have there
>been any problems with compiling or special considerations/changes people have
>needed to make?  And has anyone done any benchmarks with GROMACS on that
>platform?  We are also thinking about just going with another
>Pentium/Linux system like we presently use with GROMACS--any opinions on
>Thanks for your help!
>-Don Elmore
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