[gmx-users] Gromacs-3.3.1 installation

[Rene Meier]

On Wed, 26 Apr 2006 02:27:45 -0500
Akshay Patny <akshay17 at olemiss.edu> 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/

-prefix tells install to which directory it should copy the program and all of its files. I think it is not a good idea to install the program directly into the source tree. use something else as destination directory e.g /work1/r0914/prog.

> 
>  
> 
> # 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 
> 
>  
> 
> 


-- 
René Meier
Institut für Pharmazeutische Chemie		
Martin-Luther-Universität Halle			email:	rene.meier at pharmazie.uni-halle.de
Wolfgang-Langenbeck-Str. 4			phone:	(49)345 55-25043
06120 Halle (Saale)				fax:	(49)345 55-27355
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