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I tried this, </div>
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in file case.scfm I got "Input file corruption"...</div>
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If we assume that this is a problem with the file system, does it make sense to write the file twice (say *broyd.1backup) and if *broyd.1 cannot be read, switch to reading *broyd.1backup?</div>
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About "different versions of ifort", I don't think so, because problem often is happend nth-cycle. </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 Laurence Marks <laurence.marks@gmail.com><br>
<b>Отправлено:</b> 14 января 2025 г. 17:04<br>
<b>Кому:</b> A Mailing list for WIEN2k users <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>One possibility is that you have different versions of ifort (if that is what you used) on the node where you compiled the code and one or more of those used to run it. Check with your sys admin about this. You may be able to use static linking to overcome
this if the cluster is heterogeneous.</div>
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<div data-smartmail="gmail_signature">---<br>
Emeritus Professor Laurence Marks (Laurie)<br>
<a href="http://www.numis.northwestern.edu" data-auth="NotApplicable">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><br>
"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi</div>
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<div dir="ltr" class="x_gmail_attr">On Tue, Jan 14, 2025, 05:03 Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> wrote:<br>
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<div>I suspect the file got corrupted. Please change those lines to</div>
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<div>9901 dmix_tmp =1.D0</div>
<div dir="auto"> BetaS_tmp=1.D0</div>
<div dir="auto"> Write(21,*)'Input file corruption'</div>
<div dir="auto">9902 rewind(31)</div>
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<div dir="auto">This won't cure the issue, but will be a diagnostic. I will send something more later.</div>
<div dir="auto">Explanation: just above this the code is reading in some stored parameters. If I am right this has gone wrong, and it has jumped to 9901. Why the rewind is failing I don't understand. My only guess is a right issue or some file corruption'.
The addition will test if my guess is right.</div>
<div data-smartmail="gmail_signature">___<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><br>
"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi</div>
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<div dir="ltr" class="x_gmail_attr">On Tue, Jan 14, 2025, 04:45 Sergeev Gregory <<a href="mailto:sgregory@live.ru">sgregory@live.ru</a>> wrote:<br>
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Thank you for quick reply,</div>
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I use version 24.1, 126 line is:</div>
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9901 dmix_tmp =1.D0</div>
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BetaS_tmp=1.D0</div>
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9902 rewind(31) <---- 126 line</div>
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!</div>
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! Cleanup ATLIM without atoms</div>
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Hope it will help to catch problem.</div>
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- Gregory</div>
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<font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>От:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>> от имени Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>><br>
<b>Отправлено:</b> 14 января 2025 г. 13:19<br>
<b>Кому:</b> A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<b>Тема:</b> Re: [Wien] rewind case.boyd1 error (mixer, qmix9.f)</font>
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<div>You have not provided enough information. It looks like you are using an old version:</div>
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<div dir="auto">What version of Wien2k?</div>
<div dir="auto">What release of the mixer (stated in case.scfm)?</div>
<div dir="auto">What compiler?</div>
<div dir="auto">What is line 126 of qmix9.f in your version?</div>
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<div dir="auto">You can't recreate the file. It may have got corrupted when a job ended or for another reason such as a bad calculation.</div>
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<div data-smartmail="gmail_signature">___<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><br>
"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi</div>
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<div dir="ltr">On Tue, Jan 14, 2025, 02:13 Sergeev Gregory <<a href="mailto:sgregory@live.ru">sgregory@live.ru</a>> wrote:<br>
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Dear developers,</div>
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I do my calculations on hpc with slurm system with lustre and from time to time my task crash (approxymatly each 5th task) with error:</div>
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forrtl: Invalid argument</div>
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forrtl: severe (20): REWIND error, unit 31, file .../case.broyd1</div>
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Image PC Routine Line Source </div>
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mixer 0000000000487B4C Unknown Unknown Unknown</div>
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mixer 00000000004AD18C Unknown Unknown Unknown</div>
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mixer 0000000000458151 qmix9_ 126 qmix9.f</div>
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mixer 0000000000419B5B MAIN__ 1600 mixer.F</div>
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mixer 0000000000403A7E Unknown Unknown Unknown</div>
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<a href="http://libc-2.12.so" data-auth="NotApplicable">libc-2.12.so</a> 0000003EC121ED1D __libc_start_main Unknown Unknown</div>
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mixer 0000000000403929 Unknown Unknown Unknown </div>
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Is there a solution to this problem?</div>
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Can I delete the file and create a new one with the same name without breaking the functionality in case of rewind's iostat != 0?</div>
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This problem is very annoying, I will be grateful if you help me find a solution.</div>
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- Gregory</div>
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