[Octopus-users] octopus fails all tests in make check
alberto.castro at tddft.org
Thu Oct 26 22:58:55 WEST 2006
Could you add the line
DebugLevel = 10
to the input file, and send the resulting output?
On Thu, 26 Oct 2006 listemily at eml.cc wrote:
> I'm very happy to say that now I can actually compile octopus (ver
> I switched to a machine that has intel fortran, and installed GSL, FFTW,
> ARPACK and SPARSKIT.
> I used
> setenv ifort
> setenv FCFLAGS "-u -zero -fpp1 -nbs -pc80 -pad -align -unroll -O3
> -ip -tpp7 -xW"
> ./configure --with-gsl-prefix='/home/username/octopus/n33/'
> --disable-python --with-fft-lib='-L/home/username/octopus/n33/lib'
> --with-sparskit='-L/home/username/octopus/n33/SPARSKIT2 -lskit'
> --with-arpack='-L/home/username/octopus/n33/ARPACK -larpack_SUN4'
> make install
> make check
> And unfortunately it fails all of the tests. The manual says this
> indicates a problem with the executable, such as a missing shared
> I started it up anyway, with the "hello world" sodium atom example from
> the wiki. At first I got the same output shown there, but then it hung
> ******************** Loading restart information *********************
> ** Warning:
> ** Could not load wave-functions from 'tmp/restart_gs'
> ** Starting from scratch!
> Info: Unnormalized total charge = 0.999665
> Info: Renormalized total charge = 1.000000
> Info: Setting up Hamiltonian.
> Input: [LCAOStart = lcao_full]
> Info: Performing initial LCAO calculation with 2 orbitals.
> SystemName = 'Na'
> CalculationMode = gs
> 'Na' | 0.0 | 0.0 | 0.0
> So, with apologies that I again need assistance, I'm hoping somebody can
> give me some clues about where to start looking for this missing shared
> library? It seems like configure would have complained if I was missing
> a library? I'm attaching the config.log, but don't see anything there
> that seems obviously wrong.
> :) Emily
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