[Octopus-users] problem with octopus 1.4

[carlocamilloni at infinito.it]

Hi,

I've compiled octopus 1.4 on our intel Xeon  cluster (red 
hat, intel ifort
compiler, fftw 2.1.5) to work in
parallel with this parameters:

./configure --prefix=/home/davide/octo
--with-blas=-L/opt/intel_mkl/mkl70/lib/32/ -lmkl_lapack 
-lmkl_ia32 -lguide
--with-fft=fftw2 
--with-fft-lib=-L/home/davide/fftw-2.1.5/lib/ -lfftw 
FC=mpif90
F77=mpif77 CC=mpicc FFLAGS=-O3 -ip -mp1 -tpp7 -quiet 
FCFLAGS=-u -zero -fppi -nbs
-i_dynamic -pc80 -pad -align -unroll -O3 -r8 -ip -tpp7 -xW 
-quiet
-I/home/davide/fftw-2.1.5/include/ CFLAGS=-O3 -ip -mp1 
-tpp7 LD=mpif90
LDFLAGS=-L/opt/intel_mkl/mkl70/lib/32/ -lmkl_lapack 
-lmkl_ia32 -lguide
-L/home/davide/fftw-2.1.5/lib/ -lfftw --enable-mpi

and then I've make it and install it.

When I tried octopus on the Na examples it has worked fine 
(on 2 processors),
but with benzene or other molecules (4 processors and 1 
processor) octopus stops
when 'Info: Random generating starting wavefunctions.' 
without any visible errors.

Can anyone help me?

Thank you,
Carlo Camilloni
Universita' degli Studi di Milano
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