[molpro-user] hf error info

[Wang Mingwei]

hello everyone,

When I did a hf calculation, the .out file kept the same form. But the 
process was going on. When I killed the job, the followed error information 
came:
 Variables initialized (303), CPU time= 0.00 sec
 Default parameters read. Elapsed time= 0.01 sec
 Checking input...
 Passed
 ERROR EXIT
 CURRENT STACK:      MAIN
******************************************************************************
****************************************************

 ERROR EXIT
 CURRENT STACK:      MAIN

 RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST

 EMERGENCY STOP

 GA ERROR termxy

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

And the input file:(What is the most strange is that I once got the normal 
convergence result with the same input file.)

***[Ti2Cl9]3+***
 memory,200,m
 gprint,orbital,basis
 geomtyp=xyz
 geometry={
 7
 This is geometry input for TiCl6 with an xyz file
 Ti,0.0000,0.0000,1.6082
 Cl,0.0000,1.9044,0.0000
 Cl,1.6492,-0.9522,0.0000
 Cl,-1.6492,-0.9522,0.0000
 Cl,-1.7719,1.0230,2.7907
 Cl,0.0000,-2.0460,2.7907
 Cl,1.7719,1.0230,2.7907
 }
 basis={
 Ti=ecp1
 spdf,Cl,cc-pVTZ;}

 dkroll=1;

 hf;
***********************
Mingwei Wang
College of Chemistry and Molecular Engineering
Peking University
Beijing, P. R. China
***********************
mingwei at hpsv.pku.edu.cn