Author Topic: Help: calculation error  (Read 2897 times)

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Offline kaypu

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Help: calculation error
« on: November 8, 2012, 01:27 »
Dear QuantumWise staff:
   
   Something wrong with my device-calculation :
********************************************************************************
terminate called after throwing an instance of 'std::bad_alloc'
  what():  St9bad_alloc
/opt/QuantumWise/atk-11.8.2/atkpython/bin/atkpython: line 3:  9885 Killed                  PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../share/pseudopotentials GPAW_SETUP_PATH=$EXEC_DIR/../share/gpaw-setups/ PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/atkpython_exec $*
/opt/QuantumWise/atk-11.8.2/atkpython/bin/atkpython: line 3:  9895 Aborted                 PSEUDOPOTENTIALS_PATH=$EXEC_DIR/../share/pseudopotentials GPAW_SETUP_PATH=$EXEC_DIR/../share/gpaw-setups/ PYTHONHOME=$EXEC_DIR/.. PYTHONPATH= LD_LIBRARY_PATH=$EXEC_DIR/../lib $EXEC_DIR/atkpython_exec $*
**************************************************************************************

what's wrong with it?

     Regards

Offline zh

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Offline kaypu

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Re: Help: calculation error
« Reply #2 on: November 8, 2012, 07:18 »
Thank you  zh