[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

GU: Problems with silabenz.inp

Dear A.S.Werneck:

	Without looking at more of your output it looks like you encountered 
a bug that was in GAMESS for a while but has since been fixed.  So, if you
got your version of GAMESS after March 29, 1995 but before ca. July 1996
I have three suggestions:  One option is to get a new version of GAMESS.
Unfortunately, Mike Schmidt is on vacation for a few weeks so that 
may take a while.  The second option is to insert "IF (RUNTYP.NE.PROP)"
before the call to PIANL in prppop.src (recompile that module using "comp"
and relink using "link").  The third option is to change the RUNTYP to
ENERGY (rather than PROP) in silabenz.inp (and subsequent runs).

	Let me know if you have any further questions.  

					Best regards,
							Jan Jensen

-- 
-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=
Jan H. Jensen                      Postdoctoral Fellow
Department of Chemistry            ISU Quantum Chemistry Group
Iowa State University              E-mail: jan@si.fi.ameslab.gov
Ames, IA 50011-3111                http://www.msg.ameslab.gov/Group/Jan.html
-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=