[molpro-user] query

[Peterson, Kirk]

Dear Diwaker,

usually this error just means you've run out of disk space.

regards,

-Kirk

On May 1, 2013, at 11:03 PM, diwaker kumar <diwakerphysics at gmail.com<mailto:diwakerphysics at gmail.com>> wrote:

Dear molpro users..

 i am running mulliken population analysis on my input file as written below...

 ***, population analysis
 memory,1000,m
 geometry={
   30
  C    -2.453000     2.123700     0.000000
  C    -2.453000     1.298700     0.000000
  C    -1.738000     0.886200     0.000000
  C    -1.023000     1.298700     0.000000
  C    -1.023000     2.123700     0.000000
  C    -1.738000     2.536200     0.000000
  C    -1.738000     3.361200     0.000000
  O    -2.451600     3.772300     0.000000
  O    -1.024400     3.772300     0.000000
  C    -0.312100     3.361200     0.000000
  C     0.400100     3.772300     0.000000
  O    -1.738000     0.061200     0.000000
  C    -0.309400     0.886200     0.000000
  N    -0.314900     0.102400     0.000000
  C     0.159500    -0.124400     0.000000
  C     0.221400    -0.946700     0.000000
  C     0.965300    -1.304200     0.000000
  C     1.647200    -0.838100     0.000000
  C     1.584000    -0.015800     0.000000
  C     0.840100     0.341700     0.000000
  C    -0.459200    -1.411400     0.000000
  C    -0.397400    -2.233700     0.000000
  C     0.346500    -2.591200     0.000000
  C     1.027100    -2.126400     0.000000
  C     1.771000    -2.483900     0.000000
  C     2.453000    -2.019200     0.000000
  C     2.389700    -1.195600     0.000000
  C     0.408400    -3.414800     0.000000
  C     1.152200    -3.772300     0.000000
  C     1.832900    -3.306200     0.000000
 }

 basis=6-311g
 hf
 pop;
 individual
 and i am getting the following error in my out put..


 Eigenvalues of metric

         1 0.129E-07 0.216E-07 0.284E-07 0.697E-07 0.135E-06 0.198E-06 0.265E-06 0.324E-06
         2 0.165E-03 0.953E-03 0.104E-02 0.240E-02 0.308E-02 0.398E-02 0.852E-02 0.107E-01


 Contracted 2-electron integrals neglected if value below      1.0D-13
 AO integral compression algorithm  1   Integral accuracy      1.0D-13

     4660.396 MB (compressed) written to integral file ( 35.0%)


 NUMBER OF SORTED TWO-ELECTRON INTEGRALS: 1582338135.     BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS:  50  SEGMENT LENGTH:   31998710      RECORD LENGTH: 524288

 Memory used in sort:      32.56 MW

 ERROR WRITING        32768 WORDS AT OFFSET 1076006912. TO FILE 4  IMPLEMENTATION=df   FILE HANDLE=  1016  IERR=******
 ? Error
 ? I/O error
 ? The problem occurs in writew

it would be great help to me if some one can help me in getting rid of this problem

 kind suggestions and help is welcomed with  thanks in advance..

thanks
yours sincerely
Diwaker
Research Scholar
School of Basic sciences
Indian Institute of technology Mandi(H.P)
+919736660660
Email Id-:
diwakerphysics at gmail.com<mailto:diwakerphysics at gmail.com>
diwakerphysics at yahoo.in<mailto:diwakerphysics at yahoo.in>

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