[molpro-user] disk and memory requirements for MP2

ERSIN YURTSEVER eyurtsev at ku.edu.tr
Mon Oct 6 15:47:29 BST 2008

Dear Molpro users

 I am running a molpro MP2 calculation of antracene dimer with aug- 
ccpvdz basis.   

run stops with

Error writing 32768 words at offset 7482507264. to file21 implementation=eaf file handle=1 ierr=-1000
?I/O error
? the problem occurs in writew

I seem to be running out of disk space.

1) Did I understand the problem correctly?

 2) is there a way to figure out the necessary disk space (and/or the  
 memory) before doing MP2?

 3) Is it possible to do a calculation restricted to a certain amount  
 of disk?

I appreciate any help


Prof.Dr.Ersin Yurtsever
College of Sciences

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