[gmx-users] problems with gromacs-3.1.5_pre1 on osx.2

[Chng Choon Peng]

Hi Itamar Kass,

  I have experience installing Gromacs 3.1.5_beta on dual G4 PowerMac and
Xserves, so I think I can help.

I got that error before when installing on the PowerMac.
What I did was to log-off and logon again to clear any environmental
settings for FFTw before configuring/installing GROMACS.

Also, you would need to specify the full path to grompp when you run it.

If you still have that segmentation error, let me know.


Regards,
choon-peng
-- 
Mr. Choon-Peng CHNG
Scientific Programmer
BioInformatics Institute (BII), A*STAR
21, Heng Mui Keng Terrace, Rm 03-53, Singapore 119613
Tel (O): (65) 68746173 Fax (O): (65) 67781250
www.bii.a-star.edu.sg/~cpchng


On 3/9/03 11:04 PM, "Itamar Kass" <ikass at mail.ls.huji.ac.il> wrote:

>  Hi fellows, I am working upon a dual G4 mac, with osx.2.  I installed lam-mpi
> successfully (I have tested it using the lamtest), also the fftw-2.1.3 and the
> gromacs-3.1.5_pre1 were installed without any bugs seen.  The problem arises
> when I run gromacs:
> 
> tmmac0 5:05pm ~/pdb2gmx -h
>                        :-)  G  R  O  M  A  C  S  (-:
> 
> Segmentation fault
> 
> 
> The steps I did (all as root) to install fftw:
> chmod u+x config.guess config.sub
> perl -pi -e 's/-06/-03/' configure
> /configure --enable-float --enable-mpi --host=powerpc
> --prefix=/sw/include/fftw
>> configure.log 
> make 
> make install 
> 
> and to install gromacs:
> /bin/bash ./configure --enable-mpi --disable-shared –without-x
> -prefix=/sw/include/gromacs_3.1.5 > configure.log
> make 
> make install 
> make links 
> 
> Does anyone has idea?  Thanks all, Itamar Kass.
> 
> 
> 
> ********************************************
> Computers are like airconditioners... They don't work well with Windows open.
> ********************************************
> 
> ===========================================
> | Itamar Kass
> | The Alexander Silberman
> | Institute of Life Sciences
> | Department of Biological Chemistry
> | The Hebrew University, Givat-Ram
> | Jerusalem, 91904, Israel
> | Tel: +972-(0)2-6585146
> | Fax: +972-(0)2-6584329
> | Email: ikass at vms.huji.ac.il
> | Group Homepage: http://www.ls.huji.ac.il/~membranelab/
> ============================================
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