PWPB95-D3BJ2B - segmentation fault

1

I am trying to run a BSSE calculation at PWPB95-D3BJ2B level on a system consisting of beryllium atom and methane molecule. The calculation finishes with:

 //>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>//
// ManyBody Setup: N-Body Levels [1, 2]//
//<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<//
    Number of 1-body computations:     2
    Number of 2-body computations:     1

at the end of the output and Segmentation fault (core dumped) psi4 be-ch4-pwp.dat at the end of slurm file. The input that I have used for calculation looks as follows:

set_memory('14000 MiB')

molecule int {
0 1
C       0       0       1.116556
H       0       1.024098        0.754074
H       0.886894        -0.512049       0.754074
H       0       0       2.203375
H       -0.886894       -0.512049       0.754074
--
0 1
BE      0       0       -2.791233
units angstrom
no_reorient
}

set {
guess core
print 3
basis aug-cc-pVTZ
scf_type direct
}

energy('PWPB95-D3BJ2B', bsse_type='cp')

Things that I have noticed so far:

  • calculation runs smoothly when PWPB95-D3BJ2B is changed to SCF or other DFT functional (DSD-BLYP-D3BJ2B, B3LYP-D3BJ2B, TPSSH-D3BJ2B etc.)
  • there is no problem with PWPB95-D3BJ2B calculation for similar systems consisting of e.g., Mg, Ca and CH4, SiH4
    I am currently using the newest release of PSI4 (1.9.1).

Any help would be much appreciated.