Running tests in /var/folders/Lj/LjY0obvVGQCTq9U42uGTIE+++TQ/-Tmp-/gpaw-test-8QN1bT=============================================================================ase3k_version.py 0.020 OKnumpy_core_multiarray_dot.py 0.019 OKnumpy_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 <module> 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 OKlapack.py 0.022 OKmpicomm.py 0.020 OKeigh.py 0.023 OKxc.py 0.058 OKgradient.py 0.026 OKpbe_pw91.py 0.021 OKcg2.py 0.023 OKd2Excdn2.py 0.024 OKdot.py 0.023 OKblas.py 0.022 OKgp2.py 0.038 OKnon_periodic.py 0.060 OKerf.py 0.040 OKlf.py 0.050 OKlxc_fxc.py 0.037 OKGauss.py 0.041 OKcluster.py 0.061 OKderivatives.py 0.045 OKsecond_derivative.py 0.090 OKintegral4.py 0.050 OKtransformations.py 0.082 OKnabla.py 0.350 OKaeatom.py 0.357 OKpbc.py 0.053 OKpoisson.py 0.116 OKXC2.py 0.133 OKmultipoletest.py 0.256 OKproton.py 1.034 OKparallel/ut_parallel.py 0.897 OKparallel/compare.py 0.055 OKase3k.py 0.868 OKlaplace.py 0.023 OKds_beta.py 1.951 OKgauss_wave.py 0.452 OKplanewavebasis.py 0.021 OKcoulomb.py 0.978 OKtiming.py 3.056 OKlcao_density.py 1.452 OKgauss_func.py 1.843 OKah.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 <module> 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 <module> 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 <module> 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 <module> 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 OKparallel/overlap.py 8.216 OKsymmetry.py 5.155 OKelf.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 <module> 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 OKeed.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 <module> 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 <module> 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): <type 'exceptions.RuntimeError'> 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 0rank 0 in job 2 csi0336531-mcs-anl-gov.local_49158 caused collective abort of all ranks exit status of rank 0: return code 42