[molpro-user] record not found?

[Glen Jenness]

Dear Molpro users,
Recently while doing a routine d(HF) correction for DF-DFT-SAPT, I
received the following error:

FILE 1 RECORD      -1 OFFSET=          1. NOT FOUND

 Records on file 1

 IREC   NAME  TYPE        OFFSET    LENGTH   IMPLEMENTATION   EXT   PREV  
PARENT  MPP_STATE
   1     500  VAR          4096.    88402.         df          0      0   
  0      1
   2     610  BASINP      92498.     8192.         df          0      0   
  0      1
   3     700  GEOM       100690.    33512.         df          0      0   
  0      1
   4     900  SYMINP     134202.      494.         df          0      0   
  0      1
   5     950  ZMAT       134696.      238.         df          0      0   
  0      1
   6     970  AOBASIS    134934.      865.         df          0      0   
  0      1
   7    1000  BASIS      135799.     3742.         df          0      0   
  0      1
   8    1100  S          139541.    17022.         df          0      0   
  0      1
   9    1400  T          156563.    17022.         df          0      0   
  0      1
  10    1410  V          173585.    17022.         df          0      0   
  0      1
  11    1200  H0         190607.    17022.         df          0      0   
  0      1
  12    1210  H01        207629.    17022.         df          0      0   
  0      1
  13    1080  AOSYM      224651.      192.         df          0      0   
  0      1
  14    1600  SMH        224843.    17020.         df          0      0   
  0      1
  15     129  P2S        241863.      676.         df          0      0   
  0      1
  16     960  ABASIS     242539.     2598.         df          0      0   
  0      1
  17    1650  MOLCAS     245137.    95520.         df          0      0   
  0      1
  18    1700  OPER       340657.    51100.         df          0      0   
  0      1
  19    2541             391757.   382780.         df          0      0   
  0      1
  20    2542             774537.   382780.         df          0      0   
  0      1

 ? Error
 ? Record not found
 ? The problem occurs in readm

 GA ERROR fehler on processor   0
tmp =
/home/jordan/glen/pdir//usr/prog/molpro/molpro2006.1_patched_02aug07/aux/molprop_2006_1_i8_x86_64_tcgmsg.exe.p
 Creating: host=node151, user=glen,
           file=/usr/prog/molpro/molpro2006.1_patched_02aug07/aux/molprop_2006_1_i8_x86_64_tcgmsg.exe,
port=46899


Now I'm not sure what's going on here as I've specified what record to
save the wavefunction info to (2101.2 and 2102.2).  I've adjusted these
values, and gotten the same error each time.
I've added my input to the end.
Any help would be appreciated.
Thanks!
Glen Jenness


***,water dimer
memory,170,m
geomtyp=xyz
geometry={nosym;angstrom;noorient
6
Blah
O1  2.26289458    0.02301636    2.59502294
H1  2.82764290   -0.77168348    2.59502294
H1  1.57466433   -0.46607003    3.08248794
O2 -2.26289458   -0.02301636    2.59502294
H2 -2.82764290    0.77168348    2.59502294
H2 -1.57466433    0.46607003    3.08248794
}
basis={
default,avtz
set,jkfit
default,vqz/jkfit
set,mp2fit
default,avtz/mp2fit
}

ca=2101.2
cb=2102.2

{df-hf,basis=jkfit
}
edm=energy

dummy,o2,h2
{df-hf,basis=jkfit
save,2101.2}
ema=energy
sapt;monomera

dummy,o1,h1
{df-hf,basis=jkfit
start,atdens;save,2102.2}
emb=energy
sapt;monomerb

{sapt;intermol,ca=2101.2,cb=2102.2,fitlevel=3
dfit,basis_coul=jkfit,basis_exch=jkfit,basis_mp2=mp2fit,cfit_scf=3}
e1pol=(e1pol/1000)*627.5095, kcal/mol
e1ex=(e1ex/1000)*627.5095, kcal/mol
e2ind=(e2ind/1000)*627.5095, kcal/mol
e2exind=(e2exind/1000)*627.5095, kcal/mol
esup=(edm-ema-emb)*627.5095, kcal/mol
dhf=esup-e1pol-e1ex-e2ind-e2exind, kcal/mol