On May 15, 2009, at 1:23 AM, Silviu Groza wrote:

I still not solved these errors.
I need help in order to install Dalton quantum with OpenMPI.
Thank you.

---------------> Linking sequential dalton.x ...
mpif77.openmpi -march=x86-64 -O3 -ffast-math -fexpensive- optimizations -funroll-loops -fno-range-check -fsecond-underscore \

I notice the "-fsecond-underscore" option here; do you know who is insertting this option? If I had to guess, I'd say that that is forcing the Fortran linker to change its native name mangling scheme, and it therefore does not match the Fortran name mangling scheme that Open MPI was created with...?


-o /root/Fig/dalton-2.0/bin/dalton.x abacus/dalton.o cc/ crayio.o abacus/linux_mem_allo.o \ abacus/herpar.o eri/eri2par.o amfi/amfi.o amfi/symtra.o gp/ mpi_dummy.o -Labacus -labacus -Lrsp -lrsp -Lsirius -lsirius -labacus -Leri -leri -Ldensfit -ldensfit -Lcc -lcc -Ldft -ldft -Lgp -lgp - Lpdpack -lpdpack -L/usr/lib -llapack -lblas
dft/libdft.a(general.o): In function `mpi_sync_data':

What happens if you copy/paste this entire "mpif77.openmpi" command line and add "--showme" to the end of it? If you chase down the libmpi.so that is used in that command line and run nm on it, do you see ompi_mpi_comm_world (and friends) listed?

I'm afraid that I'm not familiar with Dalton and PelicanHPC -- are all of the support libraries listed above part of Darlton or Pelican HPC? Were they all compiled with Open MPI? More specifically: is it possible that they were compiled with a different MPI implementation?

--
Jeff Squyres
Cisco Systems

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