CCL:G: G09: Error reading force constants in excited state optimization



 Sent to CCL by: Dan Maftei [dan.maftei=-=uaic.ro]
 Dear CCLers,
 I've experienced problems when trying to mimic the computations
 described in the Gaussian 09 manual, here:
 http://www.gaussian.com/g_tech/g_ur/k_scrf.htm.
 Specifically, when
 trying to do excited state optimization in solution, using the
 state-specific approach (Improta et. al.).
 The steps, as described at the URL mentioned above, work fine in G09
 rev. B.01 up to the 4th step, where g09 should read cartesian force
 constants (Opt=RCFC) written in the checkpoint file during the 3rd step.
 The fourth step, however, dies immediately after initialization with the
 following error:
 --snip--
 Cartesian force constants read from checkpoint file:
  04-ac.chk
  Length of force constants on CHK file is     0 NAT3TT is   231
  Error termination via Lnk1e in /chimie/soft/g09/l103.exe at Fri Sep 30
 11:17:12 2011.
 Job cpu time:  0 days  0 hours  0 minutes  2.1 seconds.
  File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      5
 Scr=      1
 --end of log file--
 We found that the error is not specific to this molecule or to  geometry
 modifications used to break the molecule symmetry in the excited state.
 I'm wondering whether performance issues are related to the
 (re)computation of force constants in the geometry optimization of the
 excited states, as this job works if removing the RCFC option from the
 OPT keyword.
 Many thanks in advance for your response(s).
 Regards,
 Dan.
 --
 Dan Maftei,
 Assistant Professor,
 Faculty of Chemistry/Department of Chemistry
 University Alexandru Ioan Cuza Iasi
 Bd. Carol 1, Nr. 11, 700506 Iasi, Romania
 Tel: +40 232 201307
 E-mail(s):
 dan.maftei(~)chem.uaic.ro
 dan.maftei(~)uaic.ro