| Both sides previous revision Previous revision Next revision | Previous revision |
| doku:gamess [2014/09/11 13:36] – sh | doku:gamess [2014/09/12 08:32] (current) – sh |
|---|
| qsub ./gamess_sge.scrpt | qsub ./gamess_sge.scrpt |
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| * 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 |
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| ===== Further Information ===== | ===== Further Information ===== |
| |
| * **Overview** /opt/sw/gamess/gamess_may_2013/INTRO.DOC | | **Overview** | /opt/sw/gamess/gamess_may_2013/INTRO.DOC | |
| * **Input Description** /opt/sw/gamess/gamess_may_2013/INPUT.DOC | | **Input Description** | /opt/sw/gamess/gamess_may_2013/INPUT.DOC | |
| * **Input Examples** /opt/sw/gamess/gamess_may_2013/TESTS.DOC | | **Input Examples** | /opt/sw/gamess/gamess_may_2013/TESTS.DOC | |
| * **Further Information** /opt/sw/gamess/gamess_may_2013/REFS.DOC | | **Further Information** | /opt/sw/gamess/gamess_may_2013/REFS.DOC | |
| * **Programmer's Reference** /opt/sw/gamess/gamess_may_2013/PROG.DOC | | **Programmer's Reference** | /opt/sw/gamess/gamess_may_2013/PROG.DOC | |
| * **Hardware Specifics** /opt/sw/gamess/gamess_may_2013/IRON.DOC | | **Hardware Specifics** | /opt/sw/gamess/gamess_may_2013/IRON.DOC | |
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| {| class="wikitable" | |
| |- | |
| | **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 | |
| |} | |
| |
| [[http://www.msg.chem.iastate.edu/gamess/index.html|GAMESS(US) www-home ]] | [[http://www.msg.chem.iastate.edu/gamess/index.html|GAMESS(US) www-home ]] |