Segmetation fault error with state_analysis

Questions
#1

Greetings,
I’m looking for more information (spin density or charges) about spin flip dft’s excited states,
so I turned on state analysis option.
but the output stopped at
Analysis of Unrelaxed Density Matrices

I checked the log file;
Segmentation fault
Error: in the serial run

I don’t know exactly what makes the problem…
Or maybe…state analysis doesn’t work with spin flip?
I needs your helps, thank you.

#2

Can you provide the input that is causing this failure? In addition, could you copy the error message as well as a few of the lines before the error. Finally, which version of Q-Chem are you using that resulted in your error?

#3

Yeap. the version of Q-chem is 5.2

input.
$molecule
0 3
methyl styrene
$end

$rem
BASIS = 6-311G**
GEOM_OPT_MAX_CYCLES = 1000
GUI = 2
JOB_TYPE = SP
MEM_TOTAL = 16000
METHOD = BHHLYP
SCF_ALGORITHM = RCA_DIIS
SCF_CONVERGENCE = 5
SCF_MAX_CYCLES = 500
THRESH = 14
UNRESTRICTED = 1
SYMMETRY_IGNORE = 1
SYMMETRY_INTEGRAL = 0
SPIN_FLIP = TRUE
STATE_ANALYSIS = TRUE
cis_n_roots = 5
$end

=======================================================
log.
This is a multi-thread run using 16 threads
/usr/local/qchem_omp/exe/qcprog.exe .51.inp.88578.qcin.1 /work/60267/qchem88578/
Segmentation fault
Error: in the serial run

=======================================================
out.

        SF-DFT Excitation Energies

(The first “excited” state might be the ground state)

blahblah
till here, there are no problem.

========================================================
Excited State Analysis

========================================================

Ground State :

blahblah 

              Analysis of Unrelaxed Density Matrices

this is the end of output.
there are no error message

#4

So I was able to reproduce your issue with QC 5.2 as well as QC 5.4. I am still looking to see if there is a work around this issue.

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