[molpro-user] Warning: trying to exceed free GA space

[Dawid das]

Dear molpro experts,

I try to calculate density matrix with MRCISD and I see following warning
after each iteration.

ITER. STATE  ROOT     SQ.NORM     CORR.ENERGY   TOTAL ENERGY   ENERGY
CHANGE       DEN1      VAR(S)    VAR(P)      TIME
    1     1     1     1.00000000     0.00000000  -248.33817671
0.00000000    -0.96086961  0.85D-01  0.22D+00   372.36
    1     2     2     1.00000000     0.00000000  -248.15996828
0.00000000    -0.98895578  0.10D+00  0.22D+00   372.36
    1     3     3     1.00000000     0.00000000  -248.12199911
0.00000000    -0.96817064  0.86D-01  0.22D+00   372.36

 Using GA buffers in DKEXTS. Buffer size=  353.62 MW, File size= 554.05 MW,
Incore buffer=   75.90 MW

Warning: trying to exceed free GA space of    8.00 MW

Should I be concerned about that? May my calculations fail to calculate
Mulliken population further on?

Best wishes,

Dawid Grabarek
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