All pastes #1823131 Raw Edit

s032082

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#1823131 ·published 2010-03-04 21:38 UTC
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$ mpirun -np 8 gpaw-python test_ln.py parallel/n2.py --debuggpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG modeRunning tests in /tmp/gpaw-test-zGr3Go=============================================================================parallel/n2.pygpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG mode     7.086  FAILED! (rank 0,1,2,3,4,5,6,7)#############################################################################RANK 0,1,2,3,4,5,6,7:Traceback (most recent call last):  File "/home/camp/s032082/lib/python/gpaw/test/__init__.py", line 310, in run_one    execfile(filename, {})  File "/home/camp/s032082/lib/python/gpaw/test/parallel/n2.py", line 15, in ?    e1 = a.get_potential_energy()  File "/home/camp/s032082/lib/python/ase/atoms.py", line 493, in get_potential_energy    return self.calc.get_potential_energy(self)  File "/home/camp/s032082/lib/python/gpaw/aseinterface.py", line 32, in get_potential_energy    self.calculate(atoms, converge=True)  File "/home/camp/s032082/lib/python/gpaw/paw.py", line 251, in calculate    self.occupations):  File "/home/camp/s032082/lib/python/gpaw/scf.py", line 46, in run    wfs.eigensolver.iterate(hamiltonian, wfs)  File "/home/camp/s032082/lib/python/gpaw/eigensolvers/eigensolver.py", line 139, in iterate    error += self.iterate_one_k_point(hamiltonian, wfs, kpt)  File "/home/camp/s032082/lib/python/gpaw/eigensolvers/rmm_diis.py", line 54, in iterate_one_k_point    R_G = wfs.overlap.operator.work1_xG[1] # XXX hello IndexErrorIndexError: index out of bounds#############################################################################=============================================================================Ran 1 tests out of 1 in 7.1 secondsTests failed: 1=============================================================================