[gmx-users] Installation -Mac-Root

[David van der Spoel]

On Thu, 2004-11-18 at 22:39 -0800, Bo Yang wrote:
> 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.
> 
You can install FFTW in your home directory. See instructions on the
gromacs website.
> 
> 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:
> > 
> 
> > >
> >
> <config.log>_______________________________________________
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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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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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