Warning in QMMM

[Chris]

Hi,

When I run a QMMM calculation it seems to run fine apart from the
following warning message:

  Translating the system in order to center the QM fragment in the QM
box.
 QMMM| Information on the QM/MM Electrostatic Potential:
 QMMM| QM/MM Coupling computed collocating the Gaussian Potential
Functions.

 *** 16:10:59 WARNING in pw_spline_utils:pw_prolongate_s3 err=-300
***
 *** condition FAILED at line 4019
***

I'm not sure what this means - can I safely ignore it?

My QMMM input code is as follows:

  &QMMM
    E_COUPL GAUSS
    USE_GEEP_LIB 8
   NOCENTER F
    &CELL
      ABC   23.608       23.899       26.275
      UNITS ANGSTROM
    &END
  &QM_KIND C
.......
  &LINK
   ALPHA 1.50
   LINK_TYPE IMOMM
    MM_INDEX 64465
    QM_INDEX 64467
  &END LINK
.....
&END

Thanks,

Chris