[molpro-user] LS coupling

Evangelos Miliordos emiliord at chem.uoa.gr
Fri May 14 11:58:01 BST 2004


Hi,

I am performing some spin-orbit calculations and after all the
appropriate calculations have been completed successfully, I receive the
ensuing message:

 PROGRAM * LS (Author: P. Palmieri, 1989)
 
 
 SPECIFIED COMPONENTS :         X    Y    Z
 
 ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=21596280  IBASE=21418326 
LTOP=  21520071  MEMSTACK= 122418326
 SYMMETRIES OF SO OPERATORS:    3    2    4
 
  409200598 TWO-ELECTRON SPIN-ORBIT INTEGRALS FOR X COMPONENT WRITTEN
OUT IN 49964 BLOCKS ON RECORD    1291.4
 
 SYMMETRY ADAPTED ONE-ELECTRON SPIN-ORBIT INTEGRALS FOR  X  COMPONENT
WRITTEN ON RECORD    1700.1
 
 ERROR WRITING    100541421 WORDS AT OFFSET  743857215. TO FILE 1 
IMPLEMENTATION=df   FILE HANDLE=    10  IERR=******
 ? Error
 ? I/O error
 ? The problem occurs in writew
 
 ERROR EXIT
 CURRENT STACK:      MAIN
Write error in iow_direct_write; fd=10, l=100541421, p=743857215; read
returns 559300104

Does anyone have an idea of what this means?
Any help would be most appreciated.

Best regards,
Miliordos Evangelos






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