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-ma...@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 <kcbham...@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://email@example.com >> .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://firstname.lastname@example.org >> .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 > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > email@example.com/index.html > >
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