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

Sathish sathisbioinfo at gmail.com
Wed Oct 13 10:54:58 CEST 2010


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?



On Wed, Oct 13, 2010 at 3:19 PM, Mark Abraham <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>wrote:
>
>>
>>
>> ----- Original Message -----
>> From: Sathish <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
>>
>> > 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,
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