[molpro-user] Error for geometry optimization.

[Wang Mingwei]

Hello Everyone,

When I do a OPTG calculation at MCSCF level such following errors occured

 *** Long output written to logfile /home/wangmw/ticl/optg/ecp2rhf/cas1.log
***

 ? Error
 ? Record not found
 ? The problem occurs in readm
 CURRENT STACK:      MAIN

 GA ERROR termxy

 GA ERROR ^@^@^@^@
0:0:termxy:: 0
1:1:termxy:: 0
  0: ARMCI aborting 0 (0).

The following is my input file:

***
memory,150,m
gprint,orbital,basis,civector
geomtyp=xyz
geometry={
z;
11
This is geometry input for Ti2Cl9 with an xyz file
Ti       0.000   0.000  -1.608
Ti       0.000   0.000   1.608
Cl      -0.295   1.881   0.000
Cl       1.777  -0.685   0.000
Cl      -1.481  -1.196   0.000
Cl       0.317  -2.021  -2.791
Cl      -1.909   0.736  -2.791
Cl       1.592   1.285  -2.791
Cl      -1.909   0.736   2.791
Cl       0.317  -2.021   2.791
Cl       1.592   1.285   2.791}

basis
Ti=ecp2
cl=6-31G*
end
rhf;closed,52,38;
wf,180,1,0

multi;occ,52,39;closed,51,38;
wf,180,1,0;
optg

How to figure out this point？
Thanks for any reply.

mingwei
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