[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2)

[Hwankyu Lee]

Thanks for you help...
1) David mentioned that OS comes with a double precision version...I 
wonder if that means that it should be installed with a double 
precision....So, I cannot install gromacs with a single precision 
version in MAC??

2) I installed gromacs-3.2.0-beta instead of gromacs-3.1.4 because 
someone said gromacs-3.2.0-beta should work in MAC....and then, 
interestingly, I couldn't see any errors when I finished installation 
on MAC...but, after that, I couldn't execute any commends like grompp, 
mdrun, and so forth....Do I need to set up specific path on the MAC??
I've installed gromacs on LINUX several times...So, I'm familiar with 
installation on LINUX...I just followed same ways for MAC with 
gromacs-3.2.0 and fftw-2.1.3....but, it didn't work like I 
said....Could you give me any advice for installation on MAC??


On Jan 9, 2004, at 9:56 AM, David van der Spoel wrote:

> On Fri, 2004-01-09 at 15:28, Lieven Buts wrote:
>> On Friday 09 January 2004 15:02, Hwankyu Lee wrote:
>>> Thank you for your answers.  But, I still have same problems...
>>> When I installed fftw-2.1.3.tar.gz in mac (G4, OS X 10.3.2), I 
>>> already
>>> used "--enable-float" for single precision.  but, when I installed
>>> gromacs there, I still had this error "configure: error: Cannot find
>>> any single precision sfftw.h or fftw.h".   I would like to know how I
>>> can fix this problem....
>>
>> You also need "--enable-type-prefix" in your configure command to add 
>> the s
>> prefix to the installed files, as described in
>> http://www.gromacs.org/installation/prerequisites.php
>
> that helps as well, but there are most likely two instances of fftw
> installed. I gather that the OS comes with a double precision 
> version...
> -- 
> David.