[gmx-users] configuration, make, installation problem

Nevena Todorova nevena.todorova at rmit.edu.au
Thu Jun 8 15:44:44 CEST 2006


Hi there,
i am trying to install (double precision, mpi )Gromacs 3.3 on an SGI Altix system and during this process i encounter few problems.

I configure the system using the commmand:
./configure --enable-mpi --enable-shared --disable-nice --disable-float --prefix=$HOME/g-3.3 --program-suffix=_d_mpi --with-fft=fftw2

and  it seems to be running without problems untill the end where it stops without an output line for a successful configuration. It is not giving me an errors for missing programs, or environment set ups.
The end look like this:
"config.status: creating share/top/Makefile
config.status: creating share/html/Makefile
config.status: creating share/html/images/Makefile
config.status: creating share/html/online/Makefile
config.status: creating man/Makefile
config.status: creating man/man1/Makefile
config.status: creating src/config.h
config.status: executing depfiles commands
"

If i try to run "make" after this, it is compiling for some time until it stops with the following output:
": multiple definition of `fftwnd_f77_destroy_plan_'
nonbonded/.libs/libnonbonded.a(fftwf77.o)(.text+0x680): first defined here
/opt/fftw-2.1.5/intel-9.0/lib/libdfftw.a(fftwf77.o)(.text+0x700): In function `fftwnd_f77_':
: multiple definition of `fftwnd_f77_'
nonbonded/.libs/libnonbonded.a(fftwf77.o)(.text+0x700): first defined here
/opt/fftw-2.1.5/intel-9.0/lib/libdfftw.a(fftwf77.o)(.text+0x780): In function `fftwnd_f77_one_':
: multiple definition of `fftwnd_f77_one_'
nonbonded/.libs/libnonbonded.a(fftwf77.o)(.text+0x780): first defined here
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
ld: nonbonded/.libs/libnonbonded.a(rplanner.o): @gprel relocation against dynamic symbol rfftw_plan_hook
make[4]: *** [libgmx_mpi_d.la] Error 1
make[4]: Leaving directory `/home/595/nxt595/gromacs-3.3/src/gmxlib'
make[3]: *** [all-recursive] Error 1
make[3]: Leaving directory `/home/595/nxt595/gromacs-3.3/src/gmxlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/595/nxt595/gromacs-3.3/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/595/nxt595/gromacs-3.3/src'
make: *** [all-recursive] Error 1
"

The installation guide on the Gromacs website is excellent, but i can not find a reason for these errors.
I am new to Gromacs and i would appreciate it if anybody can help me out with this.
How do i know if i have installed the programm successfully? Is there a conformation output in the very end, or is it a matter of testing it out???

Thanks in advance,
Nevena 



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