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On 4/28/2011 2:52 PM, vivek sharma wrote:
<blockquote
cite="mid:BANLkTi=2wAppwij7iG6YNG=EyR2hvdRK+w@mail.gmail.com"
type="cite">Hi there,<br>
I am trying to install gromacs-4.5.4 on my local machine with FC,
I tried following set of commands:<br>
<br>
-----------------------------to install FFTW at location
root/Desktop/Vivek/calcitonin/FFTW<br>
./configure --prefix=/root/Desktop/Vivek/calcitonin/FFTW
--enable-long-double<br>
</blockquote>
<br>
Why enable long double?<br>
<br>
<blockquote
cite="mid:BANLkTi=2wAppwij7iG6YNG=EyR2hvdRK+w@mail.gmail.com"
type="cite">
make<br>
make install<br>
--------------------<br>
export LDFLAGS=-L/root/Desktop/Vivek/calcitonin/FFTW/lib<br>
export CPPFLAGS=-I/root/Desktop/Vivek/calcitonin/FFTW/include<br>
-------------------to install gromacs at location
/root/Desktop/Vivek/calcitonin/GROMACS-4.5.4<br>
./configure --prefix=/root/Desktop/Vivek/calcitonin/GROMACS-4.5.4/<br>
make <br>
make install<br>
--------------------------------<br>
<br>
and end up with following error<br>
------------------------<br>
/usr/bin/ld: /usr/local/lib/libfftw3f.a(plan-dft-c2r-3d.o):
relocation R_X86_64_32 against `a local symbol' can not be used
when making a shared object; recompile with -fPIC<br>
/usr/local/lib/libfftw3f.a: could not read symbols: Bad value<br>
collect2: ld returned 1 exit status<br>
make[2]: *** [<a moz-do-not-send="true" href="http://libmd.la">libmd.la</a>]
Error 1<br>
make[2]: Leaving directory
`/root/Desktop/Vivek/calcitonin/gromacs-4.5.4/src/mdlib'<br>
make[1]: *** [install-recursive] Error 1<br>
make[1]: Leaving directory
`/root/Desktop/Vivek/calcitonin/gromacs-4.5.4/src'<br>
make: *** [install-recursive] Error 1<br>
-----------------------------------------<br>
<br>
Does anybody have any idea regarding this error. Any insight and
suggestion are appreciated.<br>
</blockquote>
<br>
Notice that you are picking up FFTW from /usr/local/lib, because
your intended FFTW is not configured correctly for use with GROMACS.
That FFTW is unsuitable for another reason. See <a
href="http://www.gromacs.org/Downloads/Installation_Instructions">http://www.gromacs.org/Downloads/Installation_Instructions</a>,
in particular for how to deal with the "recompile with -fPIC" issue.<br>
<br>
Mark<br>
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