QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Val on January 28, 2011, 05:21

Title: Error while executing program
Post by: Val on January 28, 2011, 05:21

sir,
     when i run my program i got error like

Calculating DOS            : MKL ERROR : Parameter 7 was incorrect on entry to ZHSEQR
info=-7

** Back Engine Exception 1 : ritzEigenvaluesComplex : zhseqr failed !
** Location : qep.cpp:386

terminate called after throwing an instance of 'MathException'
/opt/QuantumWise/atk-10.8.2/atkpython/bin/atkpython: line 3:  8738 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 $*
NanoLanguageScript execution failure

could you help me to rectify the problem.

Title: Re: Error while executing program
Post by: kstokbro on January 29, 2011, 07:53

Next week we will have a beta version of 11.2, let us know if the problem is solved in this version.
For future bug reports please attach the input script such that we can reproduce the bug, else it is not possible for us to verify and solve the bug