[gmx-users] Error while compiling gromacs-4.5.4

[Justin A. Lemkul]

vivek sharma wrote:
> Hi there,
> I am trying to install gromacs-4.5.4 on my local machine with FC, I 
> tried following set of commands:
> 
> -----------------------------to install FFTW at location 
> root/Desktop/Vivek/calcitonin/FFTW
> ./configure --prefix=/root/Desktop/Vivek/calcitonin/FFTW 
> --enable-long-double
> make
> make install
> --------------------
> export LDFLAGS=-L/root/Desktop/Vivek/calcitonin/FFTW/lib
> export CPPFLAGS=-I/root/Desktop/Vivek/calcitonin/FFTW/include
> -------------------to install gromacs at location 
> /root/Desktop/Vivek/calcitonin/GROMACS-4.5.4
> ./configure --prefix=/root/Desktop/Vivek/calcitonin/GROMACS-4.5.4/
> make
> make install
> --------------------------------
> 
> and end up with following error
> ------------------------
> /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
> /usr/local/lib/libfftw3f.a: could not read symbols: Bad value
> collect2: ld returned 1 exit status
> make[2]: *** [libmd.la <http://libmd.la>] Error 1
> make[2]: Leaving directory 
> `/root/Desktop/Vivek/calcitonin/gromacs-4.5.4/src/mdlib'
> make[1]: *** [install-recursive] Error 1
> make[1]: Leaving directory 
> `/root/Desktop/Vivek/calcitonin/gromacs-4.5.4/src'
> make: *** [install-recursive] Error 1
> -----------------------------------------
> 
> Does anybody have any idea regarding this error. Any insight and 
> suggestion are appreciated.
> 

Please always check the mailing list archive and Gromacs site before posting. 
This issue has come up dozens of times now, and the possible solutions are 
discussed in the installation instructions.

http://www.gromacs.org/Downloads/Installation_Instructions#Prerequisites

-Justin

> regards,
> Vivek
> 

-- 
========================================

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

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