[molpro-user] problem with scs-mp2 calculation

[aditya chhikara]

Dear Molpro users,

I'm trying to run an MP2 calculation with Molpro. However, I seem to keep
running out of harddisk space. This seems a little strange to me since I've
run the same calculations with Turbomole and Gaussian03 and they run fine.
The error I get is:

 ERROR WRITING 32768 WORDS AT OFFSET 9383580. TO FILE 5 IMPLEMENTATION=sf
FILE HANDLE= -2997 IERR= -1999
 ? Error
 ? I/O error
 ? The problem occurs in writew

I'm giving my input below. Any suggestions would be greatly appreciated.

regards,

Adi

Input file:

************************************************************************

memory,400,M
geomtyp=xyz
geometry={
25 ! number of atoms
bla
C1,-0.03536,1.46799,1.86207
C2,1.36108,1.46795,1.86207
C3,2.05927,0.25858,1.86207
C4,1.36102,-0.95075,1.86207
C5,-0.03543,-0.95072,1.86207
C6,-0.73361,0.25866,1.86207
H7,-0.57931,2.41021,1.86207
H8,1.90509,2.41014,1.86207
H9,3.14723,0.25855,1.86207
H10,1.90497,-1.89297,1.86207
H11,-0.57943,-1.89290,1.86207
H12,-1.82157,0.25869,1.86207
C13,-2.08233,-0.24134,-1.73795
C14,-1.38463,0.96921,-1.73793
C15,0.00909,0.97750,-1.73794
C16,0.70430,-0.24143,-1.73792
C17,0.00901,-1.46030,-1.73794
C18,-1.38472,-1.45192,-1.73792
H19,-3.16940,-0.24129,-1.73792
H20,-1.92741,1.91088,-1.73795
H21,0.56163,1.91339,-1.73791
H22,0.56146,-2.39624,-1.73792
H23,-1.92753,-2.39357,-1.73794
C24,2.14047,-0.24142,-1.73793
N25,3.32416,-0.24136,-1.73794
}
GTHRESH,ENERGY=1.d-8
CARTESIAN
BASIS=AVDZ
END

hf !closed-shell scf
MP2

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