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doku:gamess [2014/09/11 13:56] – shdoku:gamess [2014/09/12 08:32] (current) – sh
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    qsub ./gamess_sge.scrpt    qsub ./gamess_sge.scrpt
  
-  * Upon termination look into ''h2o.[inp,out]'' and confirm that the resulting energy, E(MP2), has really become -75.7060362006+  * Upon termination look into ''h2o.[inp,out]'' and confirm that the resulting energy, E(MP2), has really become -75.7060362006 and that the output file contains the message ''GAMESS TERMINATED NORMALLY''
   * Check out additional problems from /opt/sw/gamess/gamess_may_2013/tests   * Check out additional problems from /opt/sw/gamess/gamess_may_2013/tests
      
  • doku/gamess.1410443778.txt.gz
  • Last modified: 2014/09/11 13:56
  • by sh