Hi,
I am trying to run a simple calculation to get the TS dispersion forces contribution. But the calculation crashed with this error:Q-Chem fatal error occurred in module libmdc/newfileman.C, line 348:
FileMan error: End of file reached prematurely reading (45000) bytes in file UNKNOWN FILE
Path: /capstor/scratch/cscs/vfontene/qchem_scratch/MBD_forces_tes/Li-H2O/149/pbe_TS/qc_scratch_4092739/qchem73473/1628.0
Please submit a crash report at Q-Chem Crash Reporter
When I switch the TSVDW to 1 (only compute the energies) it works, but then the TS forces are not evaluated. Someone might know what is happening? This is the input that I am trying to calculate:$molecule
1 1
O -0.02033658910714 0.42673676418289 0.34966747264614
H 0.73466758020936 0.42124304665094 -0.37615220525518
H -0.63945567524070 0.52711761954868 -0.37120220746438
Li 0.02458231843610 -0.31428504846505 2.05944456192974
$end
$rem
JOBTYPE force
METHOD PBE
NO_REORIENT TRUE
BASIS def2-TZVPD
SCF_CONVERGENCE 6
THRESH 9
TSVDW 2
TSVDW_SR 9400
GUI 2
$end