[gmx-users] problem compiling template

[Michael Brunsteiner]

Hi,

I just installed a pristine gromacs 5.1.2, on my lubuntu 64bit vanilla 
desktop, as in:

prompt> cmake .. -DGMX_GPU=ON 
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs-5.1.2-bin -DGMX_BUILD_OWN_FFTW=ON
prompt> make -j 6
prompt> make install

this worked ... then if I go to the resulting 
/usr/local/gromacs-5.1.2-bin/share/gromacs/template
and say (as recommended in the README file there)

prompt> . /usr/local/gromacs-5.1.2-bin/bin/GMXRC.bash
prompt> cmake .

I get:

prompt> make
Linking CXX executable template
/usr/bin/ld: cannot find -lgmxfftw
collect2: error: ld returned 1 exit status
make[2]: *** [template] Error 1
make[1]: *** [CMakeFiles/template.dir/all] Error 2
make: *** [all] Error 2

if I include "-DGMX_BUILD_OWN_FFTW=ON" in the cmake command I get:

CMake Warning:
   Manually-specified variables were not used by the project:

     GMX_BUILD_OWN_FFTW



if I do the same not in the installation but in the distribution 
directory then I get:

prompt> make
[100%] Building CXX object CMakeFiles/template.dir/template.o
/usr/local/software/gromacs-5.1.2/share/template/template.cpp:38:40: 
fatal error: gromacs/trajectoryanalysis.h: No such file or directory
  #include <gromacs/trajectoryanalysis.h>
                                         ^
compilation terminated.

any ideas how to resolve this?

thanks,
Michael




-- 
=====================================================
Michael Brunsteiner, PhD
Senior Researcher, Area II
Research Center Pharmaceutical Engineering GmbH
A-8010 Graz, Inffeldgasse 13
phone: +43 316 873 30908
mobile: +43 660 4887763
fax: +43 316 873 109700
e-mail: michael.brunsteiner at rcpe.at
www.rcpe.at
UID-Nr.: ATU64272307
FN: 312899x, FB-Gericht: LG für ZRS Graz

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