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Re: TDDFT excited state optimization

Thomas Pijper
thomaspijper@hotmail.com


Dear Andrii,

The error is the result of a bug in FF 8.1.0 Beta that affects only EXETYP=CHECK jobs. An EXETYP=RUN job should run fine. See also:

http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35e9ea902bHW-8856-84+00.htm


Kind regards,
Thom


On Fri Apr 25 '14 10:59am, Andrii Kulinich wrote
------------------------------------------------
>Dear all,
>there is a thread with nearly the same topic here. Nevertheless I'm opening this new one not having found the answer to my problem there.
>I attempted to use this new possibility of FF810 but without any success. The corresponding task starts upon "runtyp=energy", but when "runtyp=optimize" the testing ends with failure:
>> *** ERROR *** ATTEMPT TO READ A DAF RECORD THAT WAS NEVER WRITTEN.
>> RECORD NUMBER 303 OF LENGTH 144 DOES NOT EXIST.
>The correspondent input and output files are attached.
>I'll be grateful for any help.
>

[ This message was edited on Fri Apr 25 '14 at 1:28pm by the author ]


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