CCL: paralell Jobs in ORCA using Grimme's functional mPW2PLYP

 Sent to CCL by: "Giovanni Finoto Caramori" [caramori,,qmc.ufsc.br]
 Hello Everybody,
 I am facing troubles in using Grimme's Functional, as implemente in ORCA. The
 error is in MP2 Module. The molecule is just an hydrocarbon.
 Input lines:
 |  2> #
 |  3> ! PAL8
 |  4> ! RKS mPW2PLYP def2-TZVPP opt Grid6
 |  5> % MaxCore 10000
 |  6>
 |  7>
 |  8> * xyz 0 1
 error message:
 MP2 will be done in the AO integral direct mode
 The Q1-step will be done using symmetric double matrices
 Dimension of the basis                    ...  720
 Memory devoted for MP2                    ... 10000 MB
 Memory needed for all in one shot         ... 9982 MB
 Number of MOs that can be treated together...    7
 Overall scaling of the MP2 energy         ...   2.500e-01 Eh
 MP2 density construction                  ... relaxed
 The MP2 gradient is requested => amplitudes will be stored on disk
 Total number of MOs              ...    7 +    7 +    7 +    7 +    7 +    7 +
 7 +    7
 Number of MOs treated per batch  ...    7
 Number of batches necessary      ...    1
 2 total processes killed (some possibly by mpirun during cleanup)
 An error has occured in the MP2 module
 CALLING COMMAND: mpirun -np 8  /nfs-share/software/orca/orca_mp2_mpi
 /home/leone/ciclofanos/rundir.xCLRim/22paraciclofano.mp2inp.tmp
 RETURN CODE    : 35072
 ABORTING THE RUN
 Tarefa concluda em Seg Jan 31 12:39:22 BRST 2011. Host: amalteia
 Thanks in advance
 Giovanni
 ______________________________________
 Giovanni Finoto Caramori PhD
 Departamento de Qumica - CFM-UFSC
 Campus Universitrio Trindade - C.P. 476
 88040-900 Florianpolis/SC
 http://www.qmc.ufsc.br/~caramori
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