cp2k with gfortran 4.6.0 compiles but fails later on when testing

[Carlos Campana]

Hello CP2Kers,
Been recently driven to use CP2K given its possibilities. Managed to compile
a simple serial version using gnu compilers. See below for gcc version.

>gfortran -v
>Using built-in specs.
>COLLECT_GCC=./gfortran
>COLLECT_LTO_WRAPPER=/home/ccampana/Install/GNU-GCC-dist/GCC-install/libexec/gcc/x86_64-unknown-linux-gnu/4.6.0/lto-wrapper
>Target: x86_64-unknown-linux-gnu
>Configured with: ../dist/configure
--prefix=/home/ccampana/Install/GNU-GCC-dist/GCC-install
--with-gmp=/home/ccampana/Install/GNU-GCC-dist/GMP
>--with-mpc=/home/ccampana/Install/GNU-GCC-dist/MPC
--with-ppl=/home/ccampana/Install/GNU-GCC-dist/PPL
--with-mpfr=/home/ccampana/Install/GNU-GCC-dist/MPFR
>--with-cloog=/home/ccampana/Install/GNU-GCC-dist/CLOOG
--enable-cloog-backend=isl --enable-languages=c,c++,fortran
>Thread model: posix
>gcc version 4.6.0 20110301 (experimental) (GCC)

My building file is attached here ( Linux-x86-64-gfortran_ccc.sopt ). Very
basic built.
A first simple test (H2O-MOs.inp) went fine. Yet, as soon as I try to print
the molecular orbitals to a cube file by uncommenting the MO_CUBES section
within H2O-MOs.inp the exe fails/hangs indefinitely. See log file. I have
used the same compiler for the blas and lapack. Miscompiled exe with
gfortran?
Has anyone ran into similar problems. Hints/recommendations?
Thanks,
Carlos
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