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

[David van der Spoel]

On 2010-10-13 10.54, Sathish wrote:
> Dear Mark,
>
>           I have one more doubt. How to run "luck".  If i run luck
> anywhere its says  command not found..
> my installed and binary directory cant find luck program. how to do?
> without checking luck shall i start to run demo?
>
Instructions are outdated. The program is now called g_luck
>
>
> On Wed, Oct 13, 2010 at 3:19 PM, Mark Abraham <Mark.Abraham at anu.edu.au
> <mailto:Mark.Abraham at anu.edu.au>> wrote:
>
>     On 13/10/2010 5:01 PM, Mark Abraham wrote:
>>     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.
>     And the only thing you should be doing as root are "make install"
>     and "make links" (if you want the latter). Otherwise you'll trash
>     your system before you know what you've done.
>
>     Mark
>
>>>
>>>     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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>
>
>
>
> --
> --
> Regards,
> N. Sathishkumar,
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se