[molpro-user] This is a serious error. Please contact Molpro support

[Tatiana Korona]

Just write nocompress somewhere at the beginning of your molpro script.

Tatiana

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=
> 133123
> 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?
>
> Best,
> Shachar
>

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)