Hello Everyone,<br><br>When I do a OPTG calculation at MCSCF level such following errors occured<br><br> *** Long output written to logfile /home/wangmw/ticl/optg/ecp2rhf/cas1.log ***<br><br> ? Error<br> ? Record not found
<br> ? The problem occurs in readm<br> CURRENT STACK:      MAIN<br><br> GA ERROR termxy<br><br> GA ERROR ^@^@^@^@<br>0:0:termxy:: 0<br>1:1:termxy:: 0<br>  0: ARMCI aborting 0 (0).<br><br>The following is my input file:<br>
<br>***<br>memory,150,m<br>gprint,orbital,basis,civector<br>geomtyp=xyz<br>geometry={<br>z;<br>11<br>This is geometry input for Ti2Cl9 with an xyz file<br>Ti       0.000   0.000  -1.608<br>Ti       0.000   0.000   1.608<br>
Cl      -0.295   1.881   0.000<br>Cl       1.777  -0.685   0.000<br>Cl      -1.481  -1.196   0.000<br>Cl       0.317  -2.021  -2.791<br>Cl      -1.909   0.736  -2.791<br>Cl       1.592   1.285  -2.791<br>Cl      -1.909   
0.736   2.791<br>Cl       0.317  -2.021   2.791<br>Cl       1.592   1.285   2.791}<br><br>basis<br>Ti=ecp2<br>cl=6-31G*<br>end<br>rhf;closed,52,38;<br>wf,180,1,0<br><br>multi;occ,52,39;closed,51,38;<br>wf,180,1,0;<br>optg
<br><br>How to figure out this point？<br>Thanks for any reply.<br><br>mingwei<br><br>