<div dir="auto"><div><div>I suspect the file got corrupted. Please change those lines to</div><div dir="auto"><br></div><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><div dir="auto"><br></div><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" target="_blank" rel="noreferrer">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><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jan 14, 2025, 04:45 Sergeev Gregory <<a href="mailto:sgregory@live.ru" target="_blank" rel="noreferrer">sgregory@live.ru</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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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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<div id="m_-1193009813489373712m_-7104910123083362702divRplyFwdMsg" dir="ltr"><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" rel="noreferrer noreferrer" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>> от имени Laurence Marks <<a href="mailto:laurence.marks@gmail.com" rel="noreferrer noreferrer" target="_blank">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" rel="noreferrer noreferrer" target="_blank">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" rel="noreferrer noreferrer" target="_blank">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" rel="noreferrer noreferrer" target="_blank">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" rel="noreferrer noreferrer" target="_blank">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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