[molpro-user] Write Error

John S. Sears gtg390f at mail.gatech.edu
Wed Jul 7 16:50:45 BST 2004


Trying to run a large casscf in multi I get the folloeing error.  If
anyone has seen this before and can give me advic it would be appreciated.


 ITER. MIC  NCI  NEG     ENERGY(VAR)     ENERGY(PROJ)   ENERGY CHANGE
GRAD(0)  GRAD(ORB)   GRAD(CI)     STEP       TIME


 ERROR WRITING     56072066 WORDS AT OFFSET  224731053. TO FILE 1
IMPLEMENTATION=df   FILE HANDLE=     7  IERR=******
 ? Error
 ? I/O error
 ? The problem occurs in writew

 ERROR EXIT
 CURRENT STACK:      MAIN
Write error in iow_direct_write; fd=7, l=56072066, p=224731053; read
returns 349635223

Thanks
John

John Steven Sears
Center for Computational Molecular Science and Technology
School of Chemistry and Biochemistry
Georgia Institute of Technology
Atlanta, GA 30332-0400
Office: Boggs 3-19
Phone: 404-385-1310
Email: john.sears at chemistry.gatech.edu





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