Both sides previous revision Previous revision Next revision | Previous revision |
doku:gamess [2014/09/11 13:48] – sh | doku:gamess [2014/09/12 08:32] (current) – sh |
---|
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 |
| |
===== 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 | |
| |
| |
{| | |
| **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 ]] |