<div>Hi- </div>
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<div>I met some problems when running the optg on molpro, the job just stop when reading or writing the geometry and does not take any further actions. It could be some setup problem, but I can not figure out where the problem is. Could you give me some suggestion on this?</div>
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<div>the simplest input as</div>
<div>***,laO2 geometry optimization<br> memory,1000,m<br> <br> r=2.21 ang<br> a=67<br> geometry={La;<br> O, La, r<br> O, La, r, O, a}<br>
basis=lanl2dz<br> <br> {rhf<br> occ,7,2,5,1<br> wf,27,1,3}<br> <br> optg<br> ---<br></div>
<div>error message comes out as</div>
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<div>PROGRAM * OPT (Geometry optimization) Authors: F. Eckert and H.-J. Werner</div>
<div><br> *** Long output written to logfile /scratch/batch/651799/LaO2_rhf.log ***</div>
<div><br> Geometry optimization using default procedure for command RHF-SCF</div>
<div> Geometry written to block 1 of record 700<br>Job ran on Machine=co-compute1 </div>
<div><br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE</div>
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