[molpro-user] This is a serious error. Please contact Molpro support
tania at tiger.chem.uw.edu.pl
Wed May 15 14:06:08 BST 2013
Just write nocompress somewhere at the beginning of your molpro script.
On Wed, 15 May 2013, Shachar Klaiman wrote:
> Dear Developers,
> I am trying to run a rather large calculation, 955 contracted function in
> D2h. I get the following error in the output:
> lb= 133124 lenbfi= 65536 lenbf2= 67587 lenbfi+lenbf2=
> Buffer overflow in writecmp
> This is a serious error. Please contact Molpro support
> You can avoid this error using the directive "NOCOMPRESS"
> ? Error
> ? Buffer overflow
> ? The problem occurs in writecmp
> GLOBAL ERROR fehler on processor 0
> I am using molpro 2012 with PGI 12.9 mkl 11 and open-mpi 1.6.4.
> Any ideas? Could someone please explain how to use the no compress option,
> i.e., under which program?
Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND
`The man who makes no mistakes does not usually make anything.'
Edward John Phelps (1822-1900)
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