[gmx-users] Installing & uninstalling of gromacs
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Jan 25 12:42:41 CET 2012
On 25/01/2012 12:54 AM, Spring buds wrote:
>
> Removing files in /usr/local/gromacs has no bearing on the
> contents of /usr/local/bin. If you did 'make links' at the end of
> the installation, you will have dead links in /usr/local/bin that
> need to be removed, as well.
>
> -Justin
>
>
>
> Dear Justin,
>
> Thanks a lot for your insight.
>
> I did links in the end so there is links in */usr/local/bin*. After
> uninstall I still have dead links with */usr/local/bin. *could you
> help me how to remove this**in***/usr/local/bin*.
1. cd /usr/local/bin
2. ls -l
3. look for broken links
4. sudo rm <names of broken links>
Hint: the majority of them will be named g_xxx so that makes for easy
wildcarding.
Mark
>
>
>
>
>
>
>
> try make uninstall in the directory where you used make install
> before. like Path_to//gromacs-4.5.5
> and then make distclean
> for a totally clear re-installation, removed the
> /gromac-4.5.5 and
>
> re-untar the gromacs-4.5.5.tar.gz
>
> before that, further check the lib and bin have totally
> removed or not.
>
>
> Sure. I will do now
>
>
> Which OS you are working on?
>
>
> Linux (CentOS 5.7)
>
> Thanks a lot.
>
>
> >
> >
> > On Tue, Jan 24, 2012 at 2:31 AM, lina
> <lina.lastname at gmail.com <mailto:lina.lastname at gmail.com>
> <mailto:lina.lastname at gmail.com
> <mailto:lina.lastname at gmail.com>>> wrote:
> >>
> >> On 24 Jan, 2012, at 1:53, Spring buds
> <winterhot82 at gmail.com <mailto:winterhot82 at gmail.com>
> <mailto:winterhot82 at gmail.com <mailto:winterhot82 at gmail.com>>>
> wrote:
> >>
> >> > Dear Gromacs users,
> >> >
> >> > Greetings!!!
> >> >
> >> > I am very new users and I am trying to install grmacs
> 4.5.5 or
> 3.3.3 for
> >> > past four days. But still I am not able to. So I would
> like to
> ask some
> >> > questions which are below.
> >> >
> >> >
> >> > 1.My laptop is a dual core, which means two processors?.So
> should I need
> >> > to install MPI?
> >> >
> >> --enable threads
> >>
> >> > 2.I installed gromacs 4.5.5 with mistakes. To remove
> installing, I used
> >> > the "which gromacs" and it shows as "/usr/bin/which: no
> mdrun in
> >> >
>
> (/usr/kerberos/bin:/usr/local/bin:/usr/bin:/bin:/usr/X11R6/bin:/home/Malai/bin)".
> >> > However, I used "rm -rf /usr/local/gromacs" to remove
> installing I still can
> >> > see tha gromacs files with red background in
> "/usr/local/bin".
> Could you
> >> > tell me I removed the gromacs installing?
> >>
> >> You have not.
> >>
> >> >
> >> > 3.Could you please tell me the very simple steps for
> installatios, since
> >> > I am a novice.
> >>
> >> http://www.gromacs.org/Downloads/Installation_Instructions
> >>
> >> >
> >> > Many thanks in advance for your time and help.
> >> >
> >> > Huang Malai
> >> > --
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> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
> <tel:%28540%29%20231-9080>
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
>
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