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

Shachar Klaiman shachar.klaiman at pci.uni-heidelberg.de
Wed May 15 11:26:25 BST 2013


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
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