[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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