int2e test mem: int2e file open failed 0


Click here for full thread
Clicked A Few Times
Thanks, that has worked for a single molecule. Now, I attempt to run a larger cluster and the job fails with:

 
      Screening Tolerance Information
      -------------------------------
          Density screening/tol_rho: 1.00D-10
          AO Gaussian exp screening on grid/accAOfunc:  14
          CD Gaussian exp screening on grid/accCDfunc:  20
          XC Gaussian exp screening on grid/accXCfunc:  20
          Schwarz screening/accCoul: 1.00D-08

 ------------------------------------------------------------------------
 dft_scf:failed duplicate     -991
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line : 
   798: task dft
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------



I didn't find any similar problem online and would appreciate some help.

Thanks