majid hasan wrote:
Okay, I'll try with --enable-single. But as far as I understood, it
seems like its an issue with --enable-shared. In the first attempt, I
did enable-shared in fftw configuration, but didn't do it in gromacs
configuration, and got this error. In the second attempt, I did
enable-shared in ./configure for both fftw and gromacs, but still got
the same message. In the third attempt, I didn't enable shared anywhere,
and installation went well. Only issue is that when I run ngmx, it says
"command not found", and I can't view .trr file, but this seems to be a
different issue. But I don't know why --enable-shared isn't working.
About installing in home directory: actually I downloaded the source
from gromacs website, and I did manage to install it in my home
directory. But some of the commands, like luck, and ngmx are missing.
When I type any of luck, I get, command not found and you can install it
by typing sudo apt-get install gromacs. I did try to download it using
apt-get and software center in ubuntu, but it installs it in
usr/share/gromacs, but I want to install it in my home directory.
In the latest version of Gromacs, "luck" is named "g_luck." If ngmx was not
installed, then probably the required X11 libraries were not found on your
system. Check the output from configuration (i.e. config.log) for details.
-Justin
Thanks,
Majid
------------------------------------------------------------------------
*From:* lina zhao <lnzha...@gmail.com>
*To:* Discussion list for GROMACS users <gmx-users@gromacs.org>
*Sent:* Mon, February 14, 2011 6:24:47 PM
*Subject:* Re: [gmx-users] Gromacs Installation
1. Seems the default fftw configuration is double,
when you install the fftw-3.2.2 configure with --enable single.
2. about your question:"I wanted to ask if I can download gromacs in my
home directory using the ubuntu software center or synaptic manager?"
1] You can download in your home directory and install.
2] a better but a bit not so-easy way, is download the source
(http://packages.debian.org/sid/gromacs), built the package and add it
into repository.
There maybe also some other ways.
HTH,
lina
On Tue, Feb 15, 2011 at 6:23 AM, majid hasan <pu_majidha...@yahoo.com
<mailto:pu_majidha...@yahoo.com>> wrote:
Dear All,
I am trying to install gromacs in ubuntu. I configured both fftw and
gromacs in my home folder following the instructions on
http://www.gromacs.org/Downloads/Installation_Instructions. However,
when I do "make", I get an error in the end (pasted below). I have
also attached the log file of compilation with the email.
/usr/bin/ld: /home/majid/user/soft/fftw/lib/libfftw3f.a(mapflags.o):
relocation R_X86_64_32 against `.rodata' can not be used when making
a shared object; recompile with -fPIC
/home/majid/user/soft/fftw/lib/libfftw3f.a: could not read symbols:
Bad value
collect2: ld returned 1 exit status
make[3]: *** [libmd.la <http://libmd.la>] Error 1
make[3]: Leaving directory `/home/majid/user/down/gromacs/src/mdlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/majid/user/down/gromacs/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/majid/user/down/gromacs/src'
make: *** [all-recursive] Error 1
Moreover, I wanted to ask if I can download gromacs in my home
directory using the ubuntu software center or synaptic manager?
Thanks,
Majid
------------------------------------------------------------------------
Never miss an email again!
Yahoo! Toolbar
<http://us.rd.yahoo.com/evt=49938/*http://tools.search.yahoo.com/toolbar/features/mail/>
alerts you the instant new Mail arrives. Check it out.
<http://us.rd.yahoo.com/evt=49937/*http://tools.search.yahoo.com/toolbar/features/mail/>
--
gmx-users mailing list gmx-users@gromacs.org
<mailto:gmx-users@gromacs.org>
http://lists.gromacs.org/mailman/listinfo/gmx-users
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-requ...@gromacs.org
<mailto:gmx-users-requ...@gromacs.org>.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
------------------------------------------------------------------------
Sucker-punch spam <
http://us.rd.yahoo.com/evt=49981/*http://advision.webevents.yahoo.com/mailbeta/features_spam.html>
with award-winning protection.
Try the free Yahoo! Mail Beta. <
http://us.rd.yahoo.com/evt=49981/*http://advision.webevents.yahoo.com/mailbeta/features_spam.html>
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
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-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
