[molpro-user] df-hf optimization fails

[Attila Bende]

Dear Molpro users,

I would appreciate if somebody could explain me, what I'm doing wrong
when I want to perform geometry optimization with DF-HF
(density-fitting Hartree-Fock).
Here is my input:
_______________________
***,Input file generated by gabedit;
Memory,300,m;

SYMMETRY,NOSYM
ORIENT,NOORIENT
ANGSTROM
geometry={
 C         -2.0708090789       -0.2808046733        0.4823965078
 Cl        -1.3820788808        1.3188443615        0.1543886761
 Cl        -1.8221444839       -1.4017958184       -0.8715191334
 H         -1.5695486207       -0.6904205901        1.3513065899
 H         -3.1377758438       -0.1682555172        0.6337051239
 C          1.7942695738       -0.3984283534       -0.1259577616
 Cl         2.5469674883        1.1913640272        0.0732761244
 Cl         1.3244537927       -1.1157162422        1.4302480210
 H          0.8982040541       -0.2804735195       -0.7236436200
 H          2.5143739992       -1.0605586747       -0.5919965281
}
basis=avtz
df-hf,df_basis=vtz
optg
________________________________________________-

And this is the output message:

###########################################################################
 PROGRAM * OPT (Geometry optimization)     Authors: F. Eckert and H.-J. Werner


 *** Long output written to logfile
/scratch/abende/Molecules/Almasy/CH2X2/CH2Cl2/molpro.log ***


 Geometry optimization using default procedure for command DF-HF-SCF

 Geometry written to block  1 of record 700

 GLOBAL ERROR fehler on processor   3

 GLOBAL ERROR fehler on processor   2

 GLOBAL ERROR fehler on processor   1
 ntask_group=0 in nextask. initask must be called!

 GLOBAL ERROR fehler on processor   0
3:3:fehler:: 1
2:2:fehler:: 1
  2: ARMCI aborting 1 (0x1).
  3: ARMCI aborting 1 (0x1).
1:1:fehler:: 1
  1: ARMCI aborting 1 (0x1).
0:0:fehler:: 1
  0: ARMCI aborting 1 (0x1).
##########################################################################

Thanks
Attila

-- 
Dr. Bende Attila (PhD)
Senior Researcher II

***********************************************************************
National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.65-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 216, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
         http://www.researcherid.com/rid/A-6539-2008
***********************************************************************