[Wien] regarding patch for mixer.F

[Dr. K. C. Bhamu]

Dear Prof. Marks

Thank you very much for quick response.

I am getting these warnings even I start the job in new directory.
Also, I did not do any changes for this patch. I was looking for cause of
warning and I found all these three links and I only mentioned in email,

I am quite sure that that this is not from user (me) error.

Please let me now if I could supply more information.


Sincerely
Bhamu


On Fri, Jan 20, 2017 at 12:54 AM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Dictionary definition of Warning from Dictionary.com: "something that
> serves to warn, give notice, or caution"
>
> You do not have an error, the code is correctly warning you of something
> you should pay attention to. Probably you did not delete the old
> case.broyd* files. You should not change the code.
>
> On Thu, Jan 19, 2017 at 12:17 PM, Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
> wrote:
>
>> Dear Prof. Peter and Gavin,
>>
>>
>> While 2Doptimization, I am getting below warnings:
>>
>> 1.  :WARNING: K-list has changed >>>> this  warning is mentioned at line
>> number 1021 in mixer.F
>> and
>> 2. write(21,*)':WARNING: Density Matrix or Orbital Potential has changed
>>   (598)
>>
>> To fix these two warnings, I found three suggestions from mailing list:
>> 1. https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac
>> .at/msg13683.html
>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg13683.html&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=cEwMebxz6AtEj0ImLSSHB6BAiluQzcz7WXaItyhk6kw&s=iJSDdxN1NC7O8cfwKH6E29UaYUL5QBzbQCo8-MwQ5so&e=>
>> in this thread prof peter suggested to replace "write(22" statements by
>> "write(21"  but as I cross checked and it is already set in my mixer.F
>>
>> 2. https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac
>> .at/msg13760.html
>> <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg13760.html&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=cEwMebxz6AtEj0ImLSSHB6BAiluQzcz7WXaItyhk6kw&s=dM2CwrBUi0DVHPRoR5SDHVezNc50XaxccNrkzxHe2wc&e=>
>> Here similar advice is given by Gavin.
>>
>> 3. http://josephsmith.numis.northwestern.edu/cgi-bin/cvs/cvs
>> .cgi/SRC_mixer_7.1.3/mixer.F?r1=1.3&r2=1.4&sortby=rev
>>     http://josephsmith.numis.northwestern.edu/cgi-bin/cvs/cvs.
>> cgi/SRC_mixer_7.1.3/mixer.F?r1=1.3&r2=1.4&view=patch&sortby=rev
>>
>> But, the suggested changes already applied in my mixer.F.
>>
>> Further, if I do not apply "-orb" switch in job script then the I do not
>> see one of above warning: write(21,*)':WARNING: Density Matrix or Orbital
>> Potential has changed.
>> But the another is still persists.
>>
>> So, could I know if the said warnings are not from only mixer.F patch or
>> it is from something else or if I have made some mistake?
>>
>>
>> Sincerely
>> Bhamu
>>
>
>
>
> --
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu ; Corrosion in 4D:
> MURI4D.numis.northwestern.edu
> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
> Co-Editor, Acta Cryst A
>
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