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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
