[gmx-users] Gromacs-3.3.1 installation

[Florian Haberl]

hi,

On Wednesday 26 April 2006 09:27, Akshay Patny wrote:
> Hi
>
>
>
> I am trying to install Gromacs-3.3.1 The machine is SGI Altix and the
> output of the uname -a for machine is:
>
>
>
> Linux redwood 2.6.5-7.244-sn2 #1 SMP Mon Dec 12 18:32:25 UTC 2005 ia64 ia64
> ia64 GNU/Linux
>
>
>
> I do not have root privileges and I am trying to install it in the local
> directory I have permissions for which is:
>
>
>
> I unpacked gromacs-3.3.1.tar in the /work1/r0914
>
>
>
> It made a directory /work1/r0914/gromacs-3.3.1/
>
>
>
> I first installed fftw-3.1.1 (both single precision and double precision
> using) in a separate directory which is:
>
>
>
> ums/ro914/fftw-3.1.1
>
>
>
> Then, I cd to /work1/r0914/gromacs-3.3.1/
>
>
>
> # setenv CPPFLAGS -I/ ums/ro914/fftw-3.1.1/include
>
> # setenv LDFLAGS -L/ ums/ro914/fftw-3.1.1/lib
>
>
>
> # ./configure -prefix=/work1/r0914/gromacs-3.3.1/
>

Install it in another dir not in the same, where the sources are, so something 
like /work1/r0914/bin/gmx


>
>
> # make
>
>
>
> # make install
>
>
>
> I got the error in the make install which is:
>
> ___________________________________________________________________________
>_ ______________
>
>
>
> /usr/bin/install: `./g_sham.1' and
> `/work1/r0914/gromacs-3.3.1/man/man1/g_sham.1' are the same file
>
>  /usr/bin/install -c -m 644 './make_edi.1'
> '/work1/r0914/gromacs-3.3.1/man/man1/make_edi.1'
>
> /usr/bin/install: `./make_edi.1' and
> `/work1/r0914/gromacs-3.3.1/man/man1/make_edi.1' are the same file
>
> make[3]: *** [install-man1] Error 1
>
> make[3]: Leaving directory `/work1/r0914/gromacs-3.3.1/man/man1'
>
> make[2]: *** [install-am] Error 2
>
> make[2]: Leaving directory `/work1/r0914/gromacs-3.3.1/man/man1'
>
> make[1]: *** [install-recursive] Error 1
>
> make[1]: Leaving directory `/work1/r0914/gromacs-3.3.1/man'
>
> make: *** [install-recursive] Error 1
>
> ___________________________________________________________________________
>_ ______________
>
>
>
> Let me know if you need other details
>
>
>
> Regards
>
> Akshay
>
>
>
> Akshay Patny
>
>
>
> Graduate Research Assistant
> Faser Hall 417, Department of Medicinal Chemistry
>
> Research Institute of Pharmaceutical Sciences
> University of Mississippi
> University, MS 38677
> E-mail: akshay17 at olemiss.edu
> Tel: 662-915-1286 (office); Web: www.olemiss.edu

Greetings,

Florian

-- 
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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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