I am running a RI-EA-CC2 but qchem throws an error when calculating the transition energies. Here is the input file:
$basis
aug-cc-pVTZ+3s3p3d
$end$aux_basis
aug-cc-pVTZ-RIFIT
$end$rem
MEM_STATIC = 1000
MEM_TOTAL = 64000
BASIS = GEN
AUX_BASIS = GEN
SCF_GUESS_ALWAYS = TRUE
SCF_ALGORITHM = DIIS
MAX_SCF_CYCLES = 100
IQMOL_FCHK = FALSE
JOB_TYPE = SP
METHOD = CC2
EA_STATES = [6,6,6,6]
SCF_CONVERGENCE = 8
POINT_GROUP_SYMMETRY = TRUE
SYM_TOL = 5
EOM_SINGLE_PREC = 1
CC_SINGLE_PREC = 1
$end
Then, when qchem gets to the transition energies it prints:
CC2 CPU 10994.83 s wall 3157.90 s
Solving for EOMEA-CC2/MP2 A1 transitions.
Running a single precision version
RI-EOMEA-CC2/MP2 right amplitudes will be solved using Davidson.
Amplitudes will be solved using standard algorithm.
Hard-coded thresholds:
LinDepThresh=1.00e-15 NormThresh=1.00e-06 ReorthogonThresh=1.00e-02
Roots MaxVec MaxIter Precond Conv Shift
6 120 60 1 1.00e-05 0.00e+00
Q-Chem fatal error occurred in module /scratch/qcdevops/jenkins/workspace/build_qchem_lnxque_distrib/tags/qc631/qchem/ccman2/qchem/ccman2_main.C, line 26:
std::bad_cast
Please submit a crash report at q-chem.com/reporter
What is causing this crash?