[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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