[gmx-users] Gromacs Installation

lina zhao lnzhao99 at gmail.com
Tue Feb 15 03:24:47 CET 2011

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

There maybe also some other ways.



On Tue, Feb 15, 2011 at 6:23 AM, majid hasan <pu_majidhasan at 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] 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
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