python 2.7.3 GCC 4.6.3 64bit ELF on Linux x86_64 Ubuntu 12.04 precise Running tests in /tmp/gpaw-test-ZTazPw Jobs: 1, Cores: 4, debug-mode: False ============================================================================= lcao_tddft_restart.py 0.541 FAILED! (rank 0,1,2,3) ############################################################################# RANK 0,1,2,3: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 516, in run_one execfile(filename, loc) File "/home/askhl/src/gpaw/gpaw/test/lcao_tddft_restart.py", line 21, in atoms.get_potential_energy() File "/home/askhl/src/ase/ase/atoms.py", line 643, in get_potential_energy return self._calc.get_potential_energy(self) File "/home/askhl/src/gpaw/gpaw/aseinterface.py", line 38, in get_potential_energy self.calculate(atoms, converge=True) File "/home/askhl/src/gpaw/gpaw/paw.py", line 234, in calculate self.initialize(atoms) File "/home/askhl/src/gpaw/gpaw/paw.py", line 486, in initialize % (nvalence, nbands)) ValueError: Too few bands! Electrons: 13.000000, bands: 1 ############################################################################# lcao_tddft.py 0.002 FAILED! (rank 0,1,2,3) ############################################################################# RANK 0,1,2,3: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 516, in run_one execfile(filename, loc) File "/home/askhl/src/gpaw/gpaw/test/lcao_tddft.py", line 28, in atoms.get_potential_energy() File "/home/askhl/src/ase/ase/atoms.py", line 643, in get_potential_energy return self._calc.get_potential_energy(self) File "/home/askhl/src/gpaw/gpaw/aseinterface.py", line 38, in get_potential_energy self.calculate(atoms, converge=True) File "/home/askhl/src/gpaw/gpaw/paw.py", line 234, in calculate self.initialize(atoms) File "/home/askhl/src/gpaw/gpaw/paw.py", line 399, in initialize filter, world) File "/home/askhl/src/gpaw/gpaw/setup.py", line 1304, in __init__ basis = Basis(symbol, basis, world=world) File "/home/askhl/src/gpaw/gpaw/basis_data.py", line 59, in __init__ self.read_xml(world=world) File "/home/askhl/src/gpaw/gpaw/basis_data.py", line 76, in read_xml parser.parse(filename, world=world) File "/home/askhl/src/gpaw/gpaw/basis_data.py", line 207, in parse (name, basis.symbol)) RuntimeError: Could not find "sz" basis for "H". ############################################################################# gemm_complex.py 0.011 FAILED! (rank 0,1,2,3) ############################################################################# RANK 3: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 519, in run_one self.check_garbage() File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 559, in check_garbage (n, 's'[:n > 1], self.garbage)) AssertionError: Leak: Uncollectable garbage (1 object) [] ############################################################################# RANK 1: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 519, in run_one self.check_garbage() File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 559, in check_garbage (n, 's'[:n > 1], self.garbage)) AssertionError: Leak: Uncollectable garbage (1 object) [] ############################################################################# RANK 0: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 519, in run_one self.check_garbage() File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 559, in check_garbage (n, 's'[:n > 1], self.garbage)) AssertionError: Leak: Uncollectable garbage (1 object) [] ############################################################################# RANK 2: Traceback (most recent call last): File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 519, in run_one self.check_garbage() File "/home/askhl/src/gpaw/gpaw/test/__init__.py", line 559, in check_garbage (n, 's'[:n > 1], self.garbage)) AssertionError: Leak: Uncollectable garbage (1 object) [] ############################################################################# mpicomm.py 0.011 OK ase3k_version.py 0.010 OK numpy_core_multiarray_dot.py 0.010 OK eigh.py 0.011 OK lapack.py 0.010 OK dot.py 0.011 OK lxc_fxc.py 0.011 OK blas.py 0.011 OK erf.py 0.010 OK gp2.py 0.011 OK kptpar.py 4.523 OK non_periodic.py 0.012 OK parallel/blacsdist.py 0.012 OK gradient.py 0.013 OK cg2.py 0.011 OK kpt.py 0.014 OK lf.py 0.014 OK gd.py 0.010 OK parallel/compare.py 0.034 OK pbe_pw91.py 0.011 OK fsbt.py 0.013 OK derivatives.py 0.015 OK Gauss.py 0.015 OK second_derivative.py 0.017 OK integral4.py 0.025 OK parallel/ut_parallel.py 1.072 OK transformations.py 0.018 OK parallel/parallel_eigh.py 0.010 OK spectrum.py 0.011 OK xc.py 0.029 OK zher.py 0.029 OK pbc.py 0.033 OK lebedev.py 0.025 OK parallel/ut_hsblacs.py 23.471 OK parallel/submatrix_redist.py 0.018 OK occupations.py 0.073 OK dump_chi0.py 0.034 OK cluster.py 0.033 OK pw/interpol.py 0.016 OK poisson.py 0.058 OK pw/lfc.py 0.162 OK pw/reallfc.py 0.207 OK XC2.py 0.065 OK multipoletest.py 0.205 OK nabla.py 0.089 OK noncollinear/xccorr.py 0.329 OK gauss_wave.py 0.326 OK harmonic.py 1.077 OK atoms_too_close.py 0.151 OK screened_poisson.py 0.112 OK yukawa_radial.py 0.015 OK noncollinear/xcgrid3d.py 0.111 OK vdwradii.py 1.194 OK lcao_restart.py 0.346 OK ase3k.py 0.398 OK parallel/ut_kptops.py 1.396 OK fileio/idiotproof_setup.py 0.397 OK fileio/hdf5_simple.py 0.001 SKIPPED fileio/hdf5_noncontiguous.py 0.001 SKIPPED fileio/parallel.py 5.001 OK timing.py 0.447 OK coulomb.py 0.279 OK xcatom.py 0.845 OK proton.py 0.324 OK keep_htpsit.py 1.295 OK pw/stresstest.py 1.213 OK aeatom.py 1.168 OK numpy_zdotc_graphite.py 1.048 OK lcao_density.py 0.444 OK parallel/overlap.py 0.950 OK restart.py 1.119 OK gemv.py 2.658 OK ylexpand.py 0.967 OK wfs_io.py 0.756 OK fixocc.py 1.215 OK nonselfconsistentLDA.py 1.377 OK gga_atom.py 2.265 OK ds_beta.py 1.044 OK gauss_func.py 0.343 OK noncollinear/h.py 1.479 OK symmetry.py 2.407 OK usesymm.py