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Subject: Re: [OMPI users] Problem installing Dalton with OpenMPI overPelicanHPC
From: Jeff Squyres (jsquyres_at_[hidden])
Date: 2009-05-18 21:15:18

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 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