Segmentation fault in State specific PCM/TDDFT

Questions
#1

Hi developers and users,
I am trying to perform SS-PCM/TDDFT calculation for studying the vertical excitation of the molecule in water.
But while running the program, I am facing “segmentation fault (core dumped)”.
The input goes as follows:
$molecule
read PCM_Conf1.txt
$end

$rem
METHOD wB97X-D
BASIS 6-31+G(d,p)
JOB_TYPE sp
max_scf_cycles 200
SCF_CONVERGENCE 8
THRESH 14
INCDFT FALSE
PRINT_GENERAL_BASIS TRUE
PRINT_ORBITALS 10
pcm_print 1
RPA 2
cis_singlets TRUE
cis_triplets FALSE
cis_n_roots 5
NTO_PAIRS 2
SYMMETRY_IGNORE TRUE
SYMMETRY FALSE
cis_state_deriv 1
CIS_DYNAMIC_MEM TRUE
CIS_RELAXED_DENSITY TRUE
CIS_MOMENTS TRUE
SOLVENT_METHOD PCM
TDDFT_PCM FALSE
$end

$pcm
Theory CPCM
NONEQUILIBRIUM TRUE
ChargeSeparation Pekar
StateSpecific Perturb
TdNonEq 1
$end

$solvent
Dielectric 78.39
OpticalDielectric 1.78
$end

@@@
$molecule
read
$end

$rem
METHOD wB97X-D
BASIS 6-31+G(d,p)
JOB_TYPE sp
max_scf_cycles 200
SCF_CONVERGENCE 8
THRESH 14
INCDFT FALSE
PRINT_GENERAL_BASIS TRUE
PRINT_ORBITALS 10
pcm_print 1
RPA 2
cis_singlets TRUE
cis_triplets FALSE
cis_n_roots 5
NTO_PAIRS 2
SYMMETRY_IGNORE TRUE
SYMMETRY FALSE
cis_state_deriv 1
CIS_DYNAMIC_MEM TRUE
CIS_RELAXED_DENSITY TRUE
CIS_MOMENTS TRUE
SOLVENT_METHOD PCM
TDDFT_PCM FALSE
$end

$pcm
Theory CPCM
NONEQUILIBRIUM TRUE
ChargeSeparation Pekar
StateSpecific Perturb
TdNonEq 2
$end

$solvent
Dielectric 78.39
OpticalDielectric 1.78
$end

What can I do to resolve this error ?
Thanks for your time.

#2

can you please provide a complete input file, including the molecular coordinates? The simpler (and smaller), the better - i.e., if you can figure out what combination of REMs is causing the crash, that would be helpful.

#3

Sorry for the delayed response… But the program was running when I changed the theory “CPCM” to “SSVPE”. Thanks for your time.

#4

If you want me to look into this, please provide a complete input file (as small and simple as possible) for a job that crashes.