dsyevd

[Oscar N. Ventura]

Dear all, in a pair of calculations I have performed, the program ends with this message

 Orbital guess generated from atomic densities. Full valence occupancy:   29

 Molecular orbital dump at record        2100.2

 ITERATION    DDIFF          GRAD             ENERGY        2-EL.EN.            DIPOLE MOMENTS         DIIS   ORB.

    1      0.000D+00      0.000D+00     -2860.45515569   2527.347604   -0.75210   -0.00000    3.42628    0    start

    2      0.000D+00      0.300D-02     -2860.51094903   2530.779898   -0.47495   -0.00000    2.28790    1    diag,B

    3      0.573D-02      0.111D-02     -2860.51539405   2529.985474   -0.43607   -0.00000    2.22306    2    diag,B

    4      0.110D-02      0.376D-03     -2860.51748406   2530.424499   -0.41629   -0.00000    2.08346    3    diag,B

 dsyevd failed, info=       233

 If this happens in HF/KS, set HF option dsyevd=0.

 The default value for HF can be changed in hfopt.registry.

 If this happens elsewhere, set gparam,dsyevd=0.

 The global default value can be changed in common.F.

 ? Error

 ? dsyevd failure

 ? The problem occurs in diag2

However, the input file includes the lines

hf; dsyevd=0

uccsd(t)-f12,df_basis=df !,df_basis_exch=jk,ri_basis=ri

The input is checked and found correct by the program, but the error persists. I have trued to give it as a global parameter, but the result is the same.

Has any of you found (and, more importantly, solved) a similar problem?

Regards

Oscar