[gmx-users] gmx4.5.4 installation help

Joshua L. Phillips jphillips7 at ucmerced.edu
Fri Jun 3 19:06:50 CEST 2011


Add --with-pic when configuring fftw.

-- Josh

On Thu, 2011-06-02 at 15:16 +0800, Jianguo Li wrote:
> The error message already shows some hints. Try recompile FFTW with
> -fPIC.
> Jianguo 
> 
> 
> 
> 
> ______________________________________________________________________
> From: Chandan Choudhury <iitdckc at gmail.com>
> To: gmx-users <gmx-users at gromacs.org>
> Sent: Thursday, 2 June 2011 15:03:03
> Subject: [gmx-users] gmx4.5.4 installation help
> 
> Hello gmx-users,
> 
> I am trying to install gmx-4.5.4 on a HPC Linux cluster x86_64. 
> 1. I installed fftw 3.2.2
>              ./configure --prefix /soft/sudip/abc/execs/fftw/
> --enable-single --enable-threads
> 2. Installing Gromacs : CPPFLAGS and LDFLAGS were written in bashrc
> file
>     a)         ./configure --prefix=/soft/sudip/abc/execs/gromacs/
>        execute successfully without any complain.
>     b) make
>              /usr/bin/ld: /soft/sudip/abc/execs/fftw/lib/libfftw3f.a(apiplan.o): relocation R_X86_64_32 against `a local symbol' can not be used when making a shared object; recompile with -fPIC
>              /soft/sudip/abc/execs/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
> `/soft/sudip/abc/untar/gromacs-4.5.4/src/mdlib'
>              make[2]: *** [all-recursive] Error 1
>              make[2]: Leaving directory
> `/soft/sudip/abc/untar/gromacs-4.5.4/src'
>              make[1]: *** [all] Error 2
>              make[1]: Leaving directory
> `/soft/sudip/abc/untar/gromacs-4.5.4/src'
>              make: *** [all-recursive] Error 1
> 
>       shows problem. 
> 
> Couldnot understand the origin of problem. Kndly let me know if some
> information is missing.
> 
> Chandan
> 
> --
> Chandan kumar Choudhury
> NCL, Pune
> INDIA
> 
> -- 
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-- 
Joshua L. Phillips
Ph.D. Candidate - School of Engineering
University of California, Merced
jphillips7 at ucmerced.edu





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