[gmx-users] Installation -Mac-Root

[Bo Yang]

Hello, choon peng and Ken:

Thank you very much for your suggestions on
installation of Gromacs in Mac OS X.

I tried the commands, but still got the same error
messages. Finally, I figured out what was wrong. There
was no ‘----/fftw/include’ or ‘----/fftw/lib’ files.
The ‘fftw’ has not been installed properly. Because we
can not get the access to the ‘root’ of this computer.


The Mac in our lab has been there for a decade. There
have been a few administration generations for this
computer. People in this lab, including the current
administration and I, are really not good at Unix
system. We dig inside this Mac, and no one knows how
to get the access to the ‘root’. Therefore, we
conclude that there is no ‘root’ for this computer.

Does anyone have similar experience? How could we
solve this problem? Should we reset the computer in
order to get the ‘root’? This question is beyond the
‘Gromacs’. Can anyone suggest me where can I seek for
help? This Mac is OS X 10.3, Darwin.


Your advices will be much appreciated.

Bo


>
<117C0BE9-334C-11D9-BB01-000A957F6EBE at chemistry.umass.edu>
> Content-Type: text/plain; format=flowed;
> charset=US-ASCII
> 
> Did you compile fftw using
> ./configure --enable-float
> ?
> 
> On Nov 10, 2004, at 1:57 PM, Bo Yang wrote:
> 

> >
>
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> 
> ------------------------------
> 
> Message: 3
> Date: Thu, 11 Nov 2004 09:42:34 +0800 (SGT)
> From: Choon Peng <cpchng at bii.a-star.edu.sg>
> Subject: Re: [gmx-users] Instal Gromacs-3.2.1 in Mac
> OSX
> To: Discussion list for GROMACS users
> <gmx-users at gromacs.org>
> Message-ID:
>
<Pine.SOL.4.56L0.0411110941070.7425 at apps9.bii-sg.org>
> Content-Type: TEXT/PLAIN; charset=US-ASCII
> 
> Hi Bo,
> 
>   Just a confirmation that you have set
> CPPFLAGS and LDFLAGS to the location of the
> FFTw include and library files?
> 
> export CPPFLAGS="-I/usr/local/fftw/include"
> export LDFLAGS="-L/usr/local/fftw/lib"
> 
> for example.
> 
> 
> regards,
> choon peng
> 
> --
> Mr. Choon-Peng CHNG
> Research Associate
> Computational Biology Group
> BioInformatics Institute, BMSI
> 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
> DID: +65 6478 8301; Fax: +65 6478 9047
> www.bii.a-star.edu.sg/~cpchng



		
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