[molpro-user] Technical Question

[Martin Spenke]

Dear all, 
I am trying to run a Hartree-Fock calculation for a relatively large molecules (110 atoms).Unfortunately my tmp file increase to some 200-300 GB, how can i avoid that molpro writes the 2-electron integrals into the disk

----------------------------------    output --------------------------- NUCLEAR CHARGE:                  446 NUMBER OF PRIMITIVE AOS:        1904 NUMBER OF SYMMETRY AOS:         1843 NUMBER OF CONTRACTIONS:          952   ( 952A   ) NUMBER OF CORE ORBITALS:          61   (  61A   ) NUMBER OF VALENCE ORBITALS:      293   ( 293A   )

 NUCLEAR REPULSION ENERGY 9667.06988216

 Eigenvalues of metric
         1 0.411E-03 0.423E-03 0.439E-03 0.102E-02 0.122E-02 0.134E-02 0.146E-02 0.171E-02

 Contracted 2-electron integrals neglected if value below      1.0D-11 AO integral compression algorithm  1   Integral accuracy      1.0D-11
     28850.782 MB (compressed) written to integral file ( 16.5%)
     Node minimum: 4635.230 MB, node maximum: 4870.373 MB

 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:17148121260.     BUFFER LENGTH:  32768 NUMBER OF SEGMENTS: 179  SEGMENT LENGTH:   95999904      RECORD LENGTH: 524288
 Memory used in sort:      96.56 MW-------------------------------------------------
Best wishesMartin
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