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
[r...@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 ""'
[r...@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
<[email protected] <mailto:[email protected]>> wrote:
----- Original Message -----
From: Sathish <[email protected]
<mailto:[email protected]>>
Date: Wednesday, October 13, 2010 14:31
Subject: [gmx-users] Gromacs installation problem @ RHEL5.5 server
To: [email protected] <mailto:[email protected]>
> 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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