Differences

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--- doku:gamess [2014/09/11 13:02] – sh
+++ doku:gamess [2014/09/12 08:32] (current) – sh
@@ Line 18: / Line 18: @@
    cp /opt/sw/gamess/gamess_may_2013/rungms            ./
-  * Double-check the settings in ''gamess_sge.scrpt'' and select the above input file as the current JOB variable (dropping the '.inp' extension)
+  * Double-check the settings in ''h2o.inp'' and ''gamess_sge.scrpt'' and select ''h2o.inp'' as the current JOB variable in ''gamess_sge.scrpt'' (dropping the '.inp' extension)
    vi ./gamess_sge.scrpt
@@ Line 26: / Line 26: @@
    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
+===== Further Information =====
+| **Overview**               | /opt/sw/gamess/gamess_may_2013/INTRO.DOC  |
+| **Input Description**      | /opt/sw/gamess/gamess_may_2013/INPUT.DOC  |
+| **Input Examples**         | /opt/sw/gamess/gamess_may_2013/TESTS.DOC  |
+| **Further Information**    | /opt/sw/gamess/gamess_may_2013/REFS.DOC   |
+| **Programmer's Reference** | /opt/sw/gamess/gamess_may_2013/PROG.DOC   |
+| **Hardware Specifics**     | /opt/sw/gamess/gamess_may_2013/IRON.DOC   |
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