Dear all,
I ran single point calculations with X-HCFF and CPCM on Qchem 6.0.0. The jobs fail right after the SCF Convergence criterion met. The error message I got is " Q-Chem fatal error occurred in module libmdc/newfileman.C, line 376:
FileMan error: End of file reached prematurely reading (54360) bytes in file FILE_PCM_NUKE_ESP."
Parts of input files are as follow:
$rem
JOBTYPE FORCE
METHOD TPSSh
UNRESTRICTED TRUE
SCF_MAX_CYCLES 450
SCF_CONVERGENCE 7
XC_GRID 1
BASIS Gen
ECP Gen
SOLVENT_METHOD PCM
SYM_IGNORE TRUE
SYMMETRY FALSE
use_libqints true
gen_scfman true
distort true
mem_static 5000
mem_total 80000
molden_format true
$end
$distort
model XHCFF
pressure 9000
scaling 1.0
npoints_heavy 302
npoints_hydrogen 302
$end
$pcm
Theory CPCM
Method SWIG
Solver Inversion
HeavyPoints 194
HPoints 110
Radii Bondi
vdwScale 1.2
$end
$solvent
Dielectric 15.944 ! 2-butanol
$end
What is making the error here? Thank you in advance for your help!