[molpro-user] The problem occurs in writew

[eurisco1 at pochta.ru]

Dear Molpro users and Developers,
Would I ask about solution of problem concerning execution of job mentioned below

 memory,250,m
 geomtyp=xyz
 geometry={
  9
  C                  0.00000000    0.00000000    0.00000000
  C                  0.00000000    0.00000000    1.34131600
  H                  0.92302200    0.00000000    1.90889600
  H                 -0.92285800    0.00236700    1.90934600
  H                 -0.92268900    0.00050100   -0.56798800
  H                  0.92265200   -0.00375500   -0.56769700
  O                  1.21514400   -3.22907300    0.05967900
  O                 -0.72265000   -3.39657900   -0.95053200
  O                 -0.00893400   -3.63202400    0.09876800
 }
 basis=VdZ                                                                       
 {hf;wf,40,1,0,0}
 {multi,maxit=512;occ,24;closed,13;wf,40,1,0,0}
 rs2c,shift=0.3,maxit=512,maxit=512;
 ---

The job aborted with error message

 A level shift of 0.30 is applied.

  ITER. STATE  ROOT     SQ.NORM     CORR.ENERGY   TOTAL ENERGY   ENERGY CHANGE       DEN1      VAR(S)    VAR(P)      TIME
    1     1     1     1.04828444    -0.01448533  -302.49303098    -0.01448533    -0.66896662  0.48D-01  0.13D+00    79.36

 ERROR WRITING        32768 WORDS AT OFFSET   15245872. TO FILE 8  IMPLEMENTATION=df   FILE HANDLE=  1021  IERR=******
 ? Error
 ? I/O error
 ? The problem occurs in writew

But I have enough disk space (more than 8 Gb). I got similar error message with other jobs (qcisd(t)/aug-cc-pvdz and casscf/cc-pvtz). How to treat mentioned above error message.

Sincerely,

PhD student Oleg B. Gadzhiev













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