fci problems

[luis at klingon.uab.es]

Dear all,

I'm trying to optimize the H2 molecule at the FCI level in an
alpha dec osf4.0.
This is the input file:

***,h2
memory,2.0,M
file,1,h2.ints
file,2,h2.wfu
basis=AVTZ
geometry={,
angstrom
H1;H2,H1,r,
}
r=0.8
int
thr,40,40
pri,0
hf
wf,2,1,0
accu,15
orbprint,2
pop
fci
core
wf,2,1,0
optg,gaussian
frequencies

The calculation makes one optimization step, but when arrives to the second
it stoppes at this point:
-------------------------------------------------------------------------------------
1PROGRAM * FCI (Full CI)     Author: P.J. Knowles, 1984

 ***  Initialisation ***

 Molecular orbitals read from record     2100.2  Type=RHF/CANONICAL (state 1.1)

 Frozen orbitals:              0( 0 0 0 0 0 0 0 0)
 Active orbitals:             46(11 5 5 211 5 5 2)
 Active electrons:             2
 Spin quantum number:          0.0
 Orbital pairs:                   198     130     130      94     175     130     130      94
 Strings:                          11       5       5       2      11       5       5       2
                                   11       5       5       2      11       5       5       2
 Determinants:                    350     260     260     188     350     260     260     188
 Load integrals    18.2
 Transform integrals    18.7
 Core energy:                      0.659291049848
 Storage for integrals:        159379     Remaining memory   1667546
 Run Hamiltonian processor DAVIDSON
 Symmetry:                   1
 Trial vector:                  0.00
 Result vector:                 0.00
 Maximum iterations:           35
 Convergence threshold:         0.0000100
 RHS vector:                    0.00
 Hamiltonian shift:             0.0000000
 Output threshold:              0.0500000
 Options:                        0
 Number of roots:             1
0Hamiltonian diagonaliser entered at time     24.92
0Initial configuration generated:
       1      1.0000000     -1.1301559

 It  Tr    CPU  Convergence   Energy       Pop     dE(next)

  1   1   25.0  1.00000000     3.98937563
--------------------------------------------------------------------------------

The calculation continues runing but it doesn't write anything elese.
Does anyone have a suggestions on how to solve this problem?

Thanks in anticipation,

Luis


_____________________________________________

Luis Rodriguez Santiago
Unitat de Quimica Fisica
Departament de Quimica
Edifici C
Universitat Autonoma de Barcelona
08193 Bellaterra, Spain

Phone: +34 93 5812173
Fax: +34 93 5812920
E-mail: luis at klingon.uab.es
_____________________________________________