[gmx-users] Gromacs installation question: Where is my Gromacs?
bestenborstel at gmail.com
Fri Mar 16 21:18:40 CET 2012
Did run sudo make install again, but before I executed configure with prefix=/usr/local/gromacs and I did mkdir gromacs in /usr/local before manually. Content in the gromacs folder: bin include lib share
Gromacs finished again with:
GROMACS is installed under /usr/local/gromacs.
Make sure to update your PATH and MANPATH to find the
programs and unix manual pages, and possibly LD_LIBRARY_PATH
or /etc/ld.so.conf if you are using dynamic libraries.
Please run "make tests" now to verify your installation.
If you want links to the executables in /usr/local/bin,
you can issue "make links" now.
Shall I execute now 'sudo make links' or 'make links', please? Sorry, I also don't really know how to update my PATH variable.
Do I have to execute 'make test' as the Gromacs page says test set is broken?
Finally, is there something like 'make clean' to allow for a proper, clean re-installation?
I thought I better ask again.
Am 16.03.2012 um 20:05 schrieb David van der Spoel:
> On 2012-03-16 21:03, bestenborstel wrote:
>> Sorry, David, not sure what you mean. Yes, I am the admin of my pc. I can do whatever I can :-)
>> What do you ask me please to do?
> sudo make install
> and check on the screen where the stuff is copied to.
>> Am 16.03.2012 um 19:54 schrieb David van der Spoel:
>>> On 2012-03-16 20:49, bestenborstel wrote:
>>>> Thank you for your quick reply.
>>>> 'make links' produces:
>>>> Saturn:gromacs-4.5.5 gudrun$ make links
>>>> cd /usr/local/gromacs/bin&& programs=`ls`&& cd /usr/local/bin&& \
>>>> for i in $programs; do \
>>>> (test ! -f $i&& ln -s /usr/local/gromacs/bin/$i . ; exit 0); \
>>>> /bin/sh: line 0: cd: /usr/local/gromacs/bin: No such file or directory
>>>> make: *** [links] Error 1
>>>> I have a /usr/local/ but there is no gromacs. Not even after running again 'sudo make -n install'
>>>> Sorry, I am not sure where to post this lengthy output.
>>> -n means "not really"
>>> run it without to install.
>>> But do you have permission to write in /usr/local?
>>>> Thank you for your help.
>>>> Kind regards
>>> 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
>>> gmx-users mailing list gmx-users at gromacs.org
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> 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
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-request at gromacs.org.
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