[gmx-users] Gromacs installation problem @ RHEL5.5 server

[Mark Abraham]

  On 13/10/2010 4:55 PM, Sathish wrote:
> Dear Mark,
>       Thanks for your reply. In my server gromacs installed at 
> "local/gromacs". I have checked out point 8 as you mentioned.
> It was working with this "source /local/gromacs/bin/GMXRC" command.

That's all you need to do, in every shell from which you want to use 
GROMACS. Or, put that command in your shell login scripts (Google for 
details).

> and also tried , entered  "local/gromacs/bin" path and calling to 
> GMXRC but it shows error
>
> [root at xxx bin]# GMXRC
> /local/gromacs/bin/GMXRC: line 35: return: can only `return' from a 
> function 
> or                                                                              
> sourced script
> /local/gromacs/bin/GMXRC: line 44: CSH:: command not found
> /local/gromacs/bin/GMXRC.csh: line 8: syntax error near unexpected 
> token 
> `setenv                                                                             
> '
> /local/gromacs/bin/GMXRC.csh: line 8: `if (! $?LD_LIBRARY_PATH) setenv 
> LD_LIBRAR                                                                             
> Y_PATH ""'
> [root at xxx bin]#
This doesn't work, and shouldn't.
>
> kindly help me to fix this problem and  luck is not working.
It should, if the "source" command worked.

Mark
>
>
>
>
> On Wed, Oct 13, 2010 at 12:57 PM, Mark Abraham 
> <mark.abraham at anu.edu.au <mailto:mark.abraham at anu.edu.au>> wrote:
>
>
>
>     ----- Original Message -----
>     From: Sathish <sathisbioinfo at gmail.com
>     <mailto:sathisbioinfo at gmail.com>>
>     Date: Wednesday, October 13, 2010 14:31
>     Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server
>     To: gmx-users at gromacs.org <mailto:gmx-users at gromacs.org>
>
>     > Dear all,
>     > I have compiled and installed gromacs 4.5.1 on RHEL5.5 server. I
>     have also installed openmpi-1.2.8, fftw-3.2.2 and gsl-1.11. After
>     gromacs 4.5.1 installation did make tests and make links. Finally
>     got message "GROMACS is installed under /root/software" and 
>     "binary executable installed /usr/local/bin". Utill this am not
>     getting any errors.
>     > Then i was tried to calling "luck" but get "command not found".I
>     have searched the forum it says binary executable not in your path.
>     > Am installing first time and need to know PATH is right which i
>     given? Could anybody help me to solve this problem?
>     > Advance thanks..
>
>     Check out point 8 of
>     http://www.gromacs.org/Downloads/Installation_Instructions
>
>     Mark
>     --
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>
>
> -- 
> -- 
> Regards,
> N. Sathishkumar,
>

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