Extra 'pmlogger' messages during job startup and ending on Owens and Pitzer on March 11, 2019
Gaussian-4 (G4) theory calculations in Gaussian 16 Rev. B.01 can produce erratic results. A workaround is to use Gaussian 16 Rev. A.03 or Rev. C.01, e.g.:
module load gaussian/g16c01
Gaussian 16 Rev. A.03 has been made the default module on all clusters. A typical symtom is energy blow up in step 8 resulting in an unusually large, erroneous HF/GFHFB2 energy and consequently an incorrect G4 total energy.
On Pitzer both LAMMPS 22Aug18 and 5Jun19 gpu jobs with ppn=40 hang immediately after lammps begins execution. A workaround is to use ppn=39.