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

[Mark Abraham]

  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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