[gmx-users] installation errors

mah maz mahmaz71 at gmail.com
Tue Jun 23 20:51:18 CEST 2015


Thanks Mark! I could install it at last. I installed it in a desired
directory not in root, used --enable-shared and --disable-float. that was
the only way it was installed! and I should say I tried from all versions 5
to 4 and finally the one without errors was 4.5.5! (with fftw-3.3.4)
I have 2 questions now: is it ok not to have gromacs installed in root?
when I want to run is it necessary to have the file in the directory
installed? and
does double precision work the same as single?(I can see _d after commands)
thanks alot

On Mon, Jun 22, 2015 at 11:14 PM, mah maz <mahmaz71 at gmail.com> wrote:

> Thanks Parvez! but it was not the solution. do you have any other ideas to
> help?
>
> On Sun, Jun 21, 2015 at 1:42 PM, mah maz <mahmaz71 at gmail.com> wrote:
>
>> Dear all,
>> I am trying to install a new version of gromacs(rather than rpm) on my
>> system. I apply these commands:(in root while im superuser)
>> tar -xzvf fftw-3.3.4.tar.gz
>> cd fftw-3.3.4
>> ./configure --enable-float --enable-threads
>> make
>> make install
>>
>> and for gromacs:
>>
>> tar -xzvf gromacs-4.5.5.tar.gz
>> cd gromacs-4.5.5
>> ./configure
>> make
>> after this command the following errors occur:
>> can not be used when making a shared object
>> recompile with -fPIC
>> /usr/local/lib64/libfftw3.a:couldnt read symbols:bad value
>> collect2: error: ld returned 1 exit status
>> make[3]:***[libmd.la] error1
>> make[3]: leaving directory '/gromacs-4.5.5/src/mdlib
>> make[2]: [all-recursive] error1
>> make[2]: leaving directory '/gromacs-4.5.5/src
>> make[1]: error2
>> make[1]: leaving directory '/gromacs-4.5.5/src
>> make***[all-recursive] error1
>> what should i do? is it because of the incompatibility of the
>> fftw version and gromacs version?
>> thanks!
>>
>>
>


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