QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: kaypu on November 8, 2012, 01:27

Title: Help: calculation error
Post by: kaypu 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

Title: Re: Help: calculation error
Post by: zh on November 8, 2012, 02:32

The similar problem has been reported by other users, please check the followings:
http://quantumwise.com/forum/index.php?topic=136.0
http://quantumwise.com/forum/index.php?topic=1224.0
http://quantumwise.com/forum/index.php?topic=1278.0
http://quantumwise.com/forum/index.php?topic=552.0

Title: Re: Help: calculation error
Post by: kaypu on November 8, 2012, 07:18

Thank you  zh