[gmx-users] mpi problem during installation

[Itamar Kass]

HI all,

I am trying to compile GROMACS 4.0.5 on my mac (10.5) using
'./configure --enable-mpi --disable-float --with-fft=no && make -j2 &&
make install'. I installed on the system lam 7.0.6 './configure &&
make && make install'.

The error message I get is:

mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -std=gnu99 -framework Accelerate -o grompp grompp.o
 ./.libs/libgmxpreprocess_mpi_d.a -L/usr/X11/lib
../mdlib/.libs/libmd_mpi_d.a
/Users/ikass/Downloads/gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi_d.a
../gmxlib/.libs/libgmx_mpi_d.a /usr/lib/libxml2.dylib -lpthread -lz
-licucore -lm /usr/X11/lib/libSM.6.0.0.dylib
/usr/X11/lib/libICE.6.3.0.dylib /usr/X11/lib/libX11.6.2.0.dylib
/usr/X11/lib/libXau.6.0.0.dylib /usr/X11/lib/libXdmcp.6.0.0.dylib
Undefined symbols:
  "_lam_mpi_sum", referenced from:
      _lam_mpi_sum$non_lazy_ptr in libgmx_mpi_d.a(network.o)
      _lam_mpi_sum$non_lazy_ptr in libmd_mpi_d.a(domdec.o)
      _lam_mpi_sum$non_lazy_ptr in libmd_mpi_d.a(gmx_wallcycle.o)
      _lam_mpi_sum$non_lazy_ptr in libmd_mpi_d.a(pme.o)
  "_lam_mpi_comm_world", referenced from:
      _lam_mpi_comm_world$non_lazy_ptr in libgmx_mpi_d.a(network.o)
      _lam_mpi_comm_world$non_lazy_ptr in libgmx_mpi_d.a(main.o)
  "_lam_mpi_float", referenced from:
      _lam_mpi_float$non_lazy_ptr in libgmx_mpi_d.a(network.o)
  "_lam_mpi_double", referenced from:
      _lam_mpi_double$non_lazy_ptr in libgmx_mpi_d.a(network.o)
      _lam_mpi_double$non_lazy_ptr in libmd_mpi_d.a(partdec.o)
      _lam_mpi_double$non_lazy_ptr in libmd_mpi_d.a(gmx_wallcycle.o)
      _lam_mpi_double$non_lazy_ptr in libmd_mpi_d.a(pme.o)
      _lam_mpi_double$non_lazy_ptr in libmd_mpi_d.a(gmx_parallel_3dfft.o)
  "_lam_mpi_byte", referenced from:
      _lam_mpi_byte$non_lazy_ptr in libgmx_mpi_d.a(network.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(partdec.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(domdec.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(domdec_network.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(pme_pp.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(sim_util.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(pme.o)
      _lam_mpi_byte$non_lazy_ptr in libmd_mpi_d.a(stat.o)
  "_lam_mpi_int", referenced from:
      _lam_mpi_int$non_lazy_ptr in libgmx_mpi_d.a(network.o)
      _lam_mpi_int$non_lazy_ptr in libmd_mpi_d.a(domdec.o)
      _lam_mpi_int$non_lazy_ptr in libmd_mpi_d.a(pme.o)
ld: symbol(s) not found
collect2: ld returned 1 exit status
make[3]: *** [grompp] Error 1
make[2]: *** [all-recursive] Error 1
make[1]: *** [all] Error 2
make: *** [all-recursive] Error 1

Any ideas?