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Dear Prof. Blaha and Marks,</div>
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yestarday I recompiled mixer without "-assume buffered_io" flags (as Prof. Blaha suggested), and during night there were no any errors in mixer during night.</div>
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I hope, that mixer error fixed by this trick. If the mixer problem occurs again, I will write to you. </div>
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Thank you very much for your help!</div>
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- Gregory</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>От:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> от имени Peter Blaha <peter.blaha@tuwien.ac.at><br>
<b>Отправлено:</b> 15 января 2025 г. 11:56<br>
<b>Кому:</b> wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at><br>
<b>Тема:</b> Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f)</font>
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<div class="PlainText">I guess it is the file system.<br>
<br>
You may try to remove -assume buffered_io<br>
<br>
from the options in the Makefile of SRC_mixer and recompile.<br>
<br>
Regards<br>
Peter Blaha<br>
<br>
Am 15.01.2025 um 08:56 schrieb Sergeev Gregory:<br>
> I tried this,<br>
> in file case.scfm I got "Input file corruption"...<br>
> <br>
> If we assume that this is a problem with the file system, does it make <br>
> sense to write the file twice (say *broyd.1backup) and if *broyd.1 <br>
> cannot be read, switch to reading *broyd.1backup?<br>
> <br>
> About "different versions of ifort", I don't think so, because problem <br>
> often is happend nth-cycle.<br>
> <br>
> - Gregory<br>
> <br>
> ------------------------------------------------------------------------<br>
> *От:* Wien <wien-bounces@zeus.theochem.tuwien.ac.at> от имени Laurence <br>
> Marks <laurence.marks@gmail.com><br>
> *Отправлено:* 14 января 2025 г. 17:04<br>
> *Кому:* A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
> *Тема:* Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f)<br>
> One possibility is that you have different versions of ifort (if that is <br>
> what you used) on the node where you compiled the code and one or more <br>
> of those used to run it. Check with your sys admin about this. You may <br>
> be able to use static linking to overcome this if the cluster is <br>
> heterogeneous.<br>
> <br>
> ---<br>
> Emeritus Professor Laurence Marks (Laurie)<br>
> <a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">www.numis.northwestern.edu</a> <<a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">http://www.numis.northwestern.edu</a>><br>
> <a href="https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en" data-auth="NotApplicable">
https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en</a> <https:// <br>
> scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en><br>
> "Research is to see what everybody else has seen, and to think what <br>
> nobody else has thought" Albert Szent-Györgyi<br>
> <br>
> On Tue, Jan 14, 2025, 05:03 Laurence Marks <laurence.marks@gmail.com <br>
> <<a href="mailto:laurence.marks@gmail.com">mailto:laurence.marks@gmail.com</a>>> wrote:<br>
> <br>
> I suspect the file got corrupted. Please change those lines to<br>
> <br>
> 9901 dmix_tmp =1.D0<br>
> BetaS_tmp=1.D0<br>
> Write(21,*)'Input file corruption'<br>
> 9902 rewind(31)<br>
> <br>
> This won't cure the issue, but will be a diagnostic. I will send<br>
> something more later.<br>
> Explanation: just above this the code is reading in some stored<br>
> parameters. If I am right this has gone wrong, and it has jumped to<br>
> 9901. Why the rewind is failing I don't understand. My only guess is<br>
> a right issue or some file corruption'. The addition will test if my<br>
> guess is right.<br>
> ___<br>
> Emeritus Professor Laurence Marks (Laurie)<br>
> Department of Materials Science and Engineering, Northwestern University<br>
> <a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">www.numis.northwestern.edu</a> <<a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">http://www.numis.northwestern.edu</a>><br>
> "Research is to see what everybody else has seen, and to think what<br>
> nobody else has thought" Albert Szent-Györgyi<br>
> <br>
> On Tue, Jan 14, 2025, 04:45 Sergeev Gregory <sgregory@live.ru<br>
> <<a href="mailto:sgregory@live.ru">mailto:sgregory@live.ru</a>>> wrote:<br>
> <br>
> Thank you for quick reply,<br>
> I use version 24.1, 126 line is:<br>
> <br>
> 9901 dmix_tmp =1.D0<br>
> BetaS_tmp=1.D0<br>
> 9902 rewind(31) <---- 126 line<br>
> !<br>
> ! Cleanup ATLIM without atoms<br>
> <br>
> Hope it will help to catch problem.<br>
> <br>
> - Gregory<br>
> <br>
> ------------------------------------------------------------------------<br>
> *От:* Wien <wien-bounces@zeus.theochem.tuwien.ac.at<br>
> <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">mailto:wien-bounces@zeus.theochem.tuwien.ac.at</a>>> от имени<br>
> Laurence Marks <laurence.marks@gmail.com<br>
> <<a href="mailto:laurence.marks@gmail.com">mailto:laurence.marks@gmail.com</a>>><br>
> *Отправлено:* 14 января 2025 г. 13:19<br>
> *Кому:* A Mailing list for WIEN2k users<br>
> <wien@zeus.theochem.tuwien.ac.at<br>
> <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">mailto:wien@zeus.theochem.tuwien.ac.at</a>>><br>
> *Тема:* Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f)<br>
> You have not provided enough information. It looks like you are<br>
> using an old version:<br>
> <br>
> What version of Wien2k?<br>
> What release of the mixer (stated in case.scfm)?<br>
> What compiler?<br>
> What is line 126 of qmix9.f in your version?<br>
> <br>
> You can't recreate the file. It may have got corrupted when a<br>
> job ended or for another reason such as a bad calculation.<br>
> <br>
> ___<br>
> Emeritus Professor Laurence Marks (Laurie)<br>
> Department of Materials Science and Engineering, Northwestern<br>
> University<br>
> <a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">www.numis.northwestern.edu</a> <<a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">http://www.numis.northwestern.edu</a>><br>
> "Research is to see what everybody else has seen, and to think<br>
> what nobody else has thought" Albert Szent-Györgyi<br>
> <br>
> On Tue, Jan 14, 2025, 02:13 Sergeev Gregory <sgregory@live.ru<br>
> <<a href="mailto:sgregory@live.ru">mailto:sgregory@live.ru</a>>> wrote:<br>
> <br>
> Dear developers,<br>
> I do my calculations on hpc with slurm system with lustre<br>
> and from time to time my task crash (approxymatly each 5th<br>
> task) with error:<br>
> <br>
> forrtl: Invalid argument<br>
> forrtl: severe (20): REWIND error, unit 31, file .../case.broyd1<br>
> Image PC Routine Line<br>
> Source<br>
> mixer 0000000000487B4C Unknown <br>
> Unknown Unknown<br>
> mixer 00000000004AD18C Unknown <br>
> Unknown Unknown<br>
> mixer 0000000000458151 qmix9_ <br>
> 126 qmix9.f<br>
> mixer 0000000000419B5B MAIN__ <br>
> 1600 mixer.F<br>
> mixer 0000000000403A7E Unknown <br>
> Unknown Unknown<br>
> libc-2.12.so <<a href="http://libc-2.12.so" data-auth="NotApplicable">http://libc-2.12.so</a>> 0000003EC121ED1D<br>
> __libc_start_main Unknown Unknown<br>
> mixer 0000000000403929 Unknown <br>
> Unknown Unknown<br>
> <br>
> Is there a solution to this problem?<br>
> Can I delete the file and create a new one with the same<br>
> name without breaking the functionality in case of rewind's<br>
> iostat != 0?<br>
> <br>
> This problem is very annoying, I will be grateful if you<br>
> help me find a solution.<br>
> <br>
> - Gregory<br>
> _______________________________________________<br>
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<br>
-- <br>
-----------------------------------------------------------------------<br>
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-158801165300<br>
Email: peter.blaha@tuwien.ac.at<br>
WWW: <a href="http://www.imc.tuwien.ac.at" data-auth="NotApplicable">http://www.imc.tuwien.ac.at</a> WIEN2k:
<a href="http://www.wien2k.at" data-auth="NotApplicable">http://www.wien2k.at</a><br>
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