Running tests in /var/folders/Lj/LjY0obvVGQCTq9U42uGTIE+++TQ/-Tmp-/gpaw-test-8QN1bT ============================================================================= ase3k_version.py 0.020 OK numpy_core_multiarray_dot.py 0.019 OK numpy_zdotc_graphite.py 2.401 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/numpy_zdotc_graphite.py", line 34, in pot = atoms.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# gemm_complex.py 0.021 OK lapack.py 0.022 OK mpicomm.py 0.020 OK eigh.py 0.023 OK xc.py 0.058 OK gradient.py 0.026 OK pbe_pw91.py 0.021 OK cg2.py 0.023 OK d2Excdn2.py 0.024 OK dot.py 0.023 OK blas.py 0.022 OK gp2.py 0.038 OK non_periodic.py 0.060 OK erf.py 0.040 OK lf.py 0.050 OK lxc_fxc.py 0.037 OK Gauss.py 0.041 OK cluster.py 0.061 OK derivatives.py 0.045 OK second_derivative.py 0.090 OK integral4.py 0.050 OK transformations.py 0.082 OK nabla.py 0.350 OK aeatom.py 0.357 OK pbc.py 0.053 OK poisson.py 0.116 OK XC2.py 0.133 OK multipoletest.py 0.256 OK proton.py 1.034 OK parallel/ut_parallel.py 0.897 OK parallel/compare.py 0.055 OK ase3k.py 0.868 OK laplace.py 0.023 OK ds_beta.py 1.951 OK gauss_wave.py 0.452 OK planewavebasis.py 0.021 OK coulomb.py 0.978 OK timing.py 3.056 OK lcao_density.py 1.452 OK gauss_func.py 1.843 OK ah.py 1.878 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/ah.py", line 5, in si.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 583, in integrate c_xi[:] = c_xM[..., M1:M2] ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# ylexpand.py 0.534 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/ylexpand.py", line 17, in H2.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# wfs_io.py 0.395 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/wfs_io.py", line 31, in H.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# wfs_auto.py 0.377 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/wfs_auto.py", line 22, in H.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# xcatom.py 1.556 OK parallel/overlap.py 8.216 OK symmetry.py 5.155 OK elf.py 1.032 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/elf.py", line 11, in atoms.get_potential_energy() File "/Users/naromero/ase/ase/atoms.py", line 503, in get_potential_energy return self.calc.get_potential_energy(self) File "/Users/naromero/gpaw/gpaw/aseinterface.py", line 33, in get_potential_energy self.calculate(atoms, converge=True) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# usesymm.py 3.430 OK eed.py 1.578 FAILED! (rank 0,1) ############################################################################# RANK 0,1: Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 347, in run_one execfile(filename, loc) File "/Users/naromero/gpaw/gpaw/test/eed.py", line 22, in c.calculate(s) File "/Users/naromero/gpaw/gpaw/paw.py", line 258, in calculate self.occupations): File "/Users/naromero/gpaw/gpaw/scf.py", line 46, in run wfs.eigensolver.iterate(hamiltonian, wfs) File "/Users/naromero/gpaw/gpaw/eigensolvers/eigensolver.py", line 70, in iterate error += self.iterate_one_k_point(hamiltonian, wfs, kpt) File "/Users/naromero/gpaw/gpaw/eigensolvers/rmm_diis.py", line 89, in iterate_one_k_point wfs.pt.integrate(dpsit_xG, P_axi, kpt.q) File "/Users/naromero/gpaw/gpaw/lfc.py", line 581, in integrate c_xi[:] = c_xM[..., M1:M2] + c_arxi[a].sum(axis=0) ValueError: shape mismatch: objects cannot be broadcast to a single shape ############################################################################# mixer.py Traceback (most recent call last): File "/Users/naromero/gpaw/gpaw/test/test.py", line 82, in failed = TestRunner(tests, jobs=opt.jobs).run() File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 282, in run self.run_single() File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 302, in run_single self.run_one(test) File "/Users/naromero/gpaw/gpaw/test/__init__.py", line 359, in run_one mpi.ibarrier(timeout=60.0) # guard against parallel hangs File "/Users/naromero/gpaw/gpaw/mpi/__init__.py", line 759, in ibarrier raise RuntimeError('MPI barrier timeout.') RuntimeError: MPI barrier timeout. GPAW CLEANUP (node 0): occurred. Calling MPI_Abort! application called MPI_Abort(MPI_COMM_WORLD, 42) - process 0[cli_0]: aborting job: application called MPI_Abort(MPI_COMM_WORLD, 42) - process 0 rank 0 in job 2 csi0336531-mcs-anl-gov.local_49158 caused collective abort of all ranks exit status of rank 0: return code 42