<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Hi Jonas,<div><br></div><div>The most common problem is having tables with negative values of energy or pressure, which some sesame tables have. Opacplot makes no attempts to sanitize the table data, so if they are in there it will propagate into the generated ionmix files. You can try the native SESAME reader in FLASH which will try to remove any negative entries it finds, or initialize your simulation at a higher temperature to try and avoid those negative values that are usually around solid density/temperature.<br id="lineBreakAtBeginningOfMessage"><div>
<div style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">*********************************************<br>Adam Reyes</div><br class="Apple-interchange-newline"><span><img alt="FLASH.jpg" src="cid:EA5A7E59-94B9-4162-879C-B52E774AEA24"></span><meta charset="UTF-8"><br style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); 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text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; display: inline !important; float: none;">500 Wilson Blvd. PO Box 270171, </span><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; display: inline !important; 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white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; display: inline !important; float: none;"> </span><span style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; display: inline !important; float: none;">(he / him / his)</span><br style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><span><img alt="FLASH-pride-sml.png" src="cid:CE45460D-2261-4A69-865C-5CF7BEACF620"></span><div style="caret-color: rgb(0, 0, 0); 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<div><br><blockquote type="cite"><div>On May 6, 2024, at 4:52 PM, Jonas Kuhlke <jonas.kuhlke@uni-rostock.de> wrote:</div><br class="Apple-interchange-newline"><div><meta charset="UTF-8"><div id="divtagdefaultwrapper" dir="ltr" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-size: 12pt; font-family: Calibri, Helvetica, sans-serif;"><div style="margin-top: 0px; margin-bottom: 0px;">Hi Flash Users,</div><div style="margin-top: 0px; margin-bottom: 0px;"><br></div><div style="margin-top: 0px; margin-bottom: 0px;">I'm currently trying simulated Laser shock compression of polyethylene targets using LaserSlab. For the EOS tables I have converted SESAME tables into the IONMIX4 format using<span class="Apple-converted-space"> </span><span>opacplot2</span>(<a href="https://github.com/flash-center/opacplot2" class="OWAAutoLink" id="LPlnk916438">https://github.com/flash-center/opacplot2</a>) and this works great for other target materials like polystyrene, but not for PE for some reason. The error message given is 'DRIVER_ABORT: [hy_uhd_unsplitUpdateMultiTemp] Negative 3T internal energy, CHECK LOG'.<br><br>I've noticed from mail archive, that I'm not the only one with this problem and I tried the proposed solutions there. Most of the time this seems to be related to some numerical instability, but I'm not sure if this is the case here, because the simulation crashes in the first time step (I think). Also PS works and PE doesn't with the same parameters (except material specific ones).<br><br>The log file says:</div><p style="margin-top: 0px; margin-bottom: 0px;"></p><div>[ 05-06-2024 16:13:53.033 ] WARNING after gc filling: min. unk(ENER_VAR)=-371477695.1070602 PE=0 block=2 type=2<br> [ 05-06-2024 16:13:53.033 ] WARNING after gc filling: min. unk(EINT_VAR)=-371477695.1070602 PE=0 block=2 type=2<br> [ 05-06-2024 16:13:53.033 ] WARNING after gc filling: min. unk(ENER_VAR)=-371477695.1070602 PE=0 block=4 type=2<br> [ 05-06-2024 16:13:53.034 ] WARNING after gc filling: min. unk(EINT_VAR)=-371477695.1070602 PE=0 block=4 type=2</div><div><br></div><div>This makes me think something is wrong with the spatial grid, boundary conditions or my IONMIX EOS for PE. Has someone ran into similar issues or knows a way to verify my EOS tables?</div><div><br></div><div>Also this is my setup command:</div><div><div>./setup -auto LaserSlab -1d -nxb=16 +hdf5typeio \ species=cham,targ +mtmmmt +laser +uhd3t \ -parfile=PE_1D.par<br><br>Kind regards,<br>Jonas<br></div><br></div><br><p style="margin-top: 0px; margin-bottom: 0px;"></p></div><span id="cid:44AA3EEE-27C8-461C-AA04-C536527F63D5"><matr_07180_polyethylene.cn4></span><span id="cid:B7C10D14-2BFD-451C-AE3D-926B2E06D2ED"><matr_07180_polyethylene.ses></span><span id="cid:40F0EDE1-E7DF-44BE-A6C5-E25C85E14A1A"><PE_lasslab.log></span><span id="cid:F887F65A-F40E-4FF5-B75A-636D5FA3A414"><PE_1D.par></span><span id="cid:4A660310-5AE0-4373-833F-EE59C53481A3"><matr_07590_polystyrene.cn4></span><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;">_______________________________________________</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;">flash-users mailing list</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><a href="mailto:flash-users@flash.rochester.edu" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">flash-users@flash.rochester.edu</a><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;">For list info, including unsubscribe:</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><a href="https://flash.rochester.edu/mailman/listinfo/flash-users" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">https://flash.rochester.edu/mailman/listinfo/flash-users</a></div></blockquote></div><br></div></body></html>