$ mpirun -np 4 gpaw-python gpaw/test/lcao_density.pygpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG modegpaw-DEBUG mode ___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 0.7.5827 |___|_| User: s032082@thul.fysik.dtu.dkDate: Fri Jan 29 12:32:18 2010Arch: x86_64Pid: 27570Dir: /home/niflheim/s032082/thul/lib64/python/gpawase: /home/niflheim/s032082/thul/lib/python/ase version: 3.3.0.1328numpy: /opt/numpy/1.3.0/1.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1/lib64/python2.4/site-packages/numpyunits: Angstrom and eVUsing default value for grid spacing.Memory estimate---------------Calculator 30.16 MiB Initial overhead 22.01 MiB Density 3.01 MiB Arrays 0.97 MiB Localized functions 0.34 MiB Mixer 0.21 MiB Interpolator 1.50 MiB Hamiltonian 4.71 MiB Arrays 0.63 MiB Restrictor 0.79 MiB XC 3D grid 0.30 MiB Poisson 2.97 MiB vbar 0.03 MiB Wavefunctions 0.43 MiB C [qnM] 0.00 MiB S, T [2 x qmm] 0.00 MiB P [aqMi] 0.00 MiB TCI 0.00 MiB BasisFunctions 0.43 MiB Eigensolver 0.00 MiBTraceback (most recent call last): File "../../trunk_gpaw/gpaw/test/lcao_density.py", line 40, in ? wfs.calculate_density_matrix(kpt.f_n, kpt.C_nM, rho_MM)Traceback (most recent call last): File "../../trunk_gpaw/gpaw/test/lcao_density.py", line 40, in ? wfs.calculate_density_matrix(kpt.f_n, kpt.C_nM, rho_MM) File "/home/niflheim/s032082/thul/lib64/python/gpaw/wavefunctions.py", line 557, in calculate_density_matrix File "/home/niflheim/s032082/thul/lib64/python/gpaw/wavefunctions.py", line 557, in calculate_density_matrix rho_MM = self.od.calculate_density_matrix(f_n, C_nM, rho_MM) rho_MM = self.od.calculate_density_matrix(f_n, C_nM, rho_MM) File "/home/niflheim/s032082/thul/lib64/python/gpaw/blacs.py", line 735, in calculate_density_matrix Cf_Mn = C_nM.T.conj() * f_nTypeError: unsupported operand type(s) for *: 'float' and 'NoneType'GPAW CLEANUP (node 2): exceptions.TypeError occurred. Calling MPI_Abort! File "/home/niflheim/s032082/thul/lib64/python/gpaw/blacs.py", line 735, in calculate_density_matrix Cf_Mn = C_nM.T.conj() * f_nTypeError: unsupported operand type(s) for *: 'float' and 'NoneType'GPAW CLEANUP (node 3): exceptions.TypeError occurred. Calling MPI_Abort!--------------------------------------------------------------------------MPI_ABORT was invoked on rank 2 in communicator MPI_COMM_WORLD with errorcode 42.NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.You may or may not see output from other processes, depending onexactly when Open MPI kills them.----------------------------------------------------------------------------------------------------------------------------------------------------mpirun has exited due to process rank 2 with PID 27572 onnode thul.fysik.dtu.dk exiting without calling "finalize". This mayhave caused other processes in the application to beterminated by signals sent by mpirun (as reported here).--------------------------------------------------------------------------[thul.fysik.dtu.dk:27567] 1 more process has sent help message help-mpi-api.txt / mpi-abort[thul.fysik.dtu.dk:27567] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages