[molpro-user] inconsistent memory problem

Shireen Falah shiro_he at yahoo.com
Mon Oct 4 18:55:28 BST 2010


Dear Molpro people, 
I am trying to run a calculations CASSCF calculations using molpro but I have a 
continuously crashing job due to "memory reasons". 

I always have some error message like: 

"USED MEMORY IN cislow:        39606842  39655096
 FREE MEMORY IN cislow:      39603930583960344804
 ? Error
 ?  Inconsistent memory
 ? The problem occurs in check_address"

I have installed the latest patch (patch 5) but the same error still persist. I 
am using 2 processors to run the calculations....
I have tried many values for the memory starting from 200 to 40000! I also tried 
to use the default memory but it did not solve it!
Would you please help me how to solve this memory problem ? 
note: my input file is shown below. 

Thanks in advance
Best regards
Sherin Alfalah

---------------------------------------------------------------------------
Input file: 
memory,4000,M
file,2,........................../min.wfu
basis=VDZ
geomtyp=xyz
geometry={
32
minimum geometry (ground state)

}
{hf;
wf,charge=0,spin=0}
optg,coord=bmat
put, molden, retinal-min-rhf-cas.molden
gprint,orbitals,civector
multi
START,2140.2;
!rotate 33.1 41.1
occ,57;
closed,45;
wf,charge=0,spin=0;
state,2;
orbital 2140.2
natorb, Print,ci;
put, molden, rEtinal-min-rhf-cas2.molden
ci; noexc
state 2
save, 6000.2
dm, 8000.2


      
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