Thanks. That error was resolved. However I am now facing a different error.<div><br></div><div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                GEOMETRY wrong or EMAX_SPLINE too small!              *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                               fist_neighbor_lists.F:607 *</div><div> *******************************************************************************</div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, July 6, 2021 at 8:04:31 PM UTC+5:30 Matthias Krack wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">





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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">There is a “*” missing for the multiplication in the line<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">ABC 5.430697500${SCALE_FACTOR} 5.430697500*${SCALE_FACTOR} 5.430697500*${SCALE_FACTOR}<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d">M.<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt;font-family:"Calibri",sans-serif;color:#1f497d"><u></u> <u></u></span></p>
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<p class="MsoNormal"><b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif">Von:</span></b><span lang="DE" style="font-size:11.0pt;font-family:"Calibri",sans-serif"> <a href data-email-masked rel="nofollow">c...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>>
<b>Im Auftrag von </b>Pasan Henadeera<br>
<b>Gesendet:</b> Dienstag, 6. Juli 2021 16:25<br>
<b>An:</b> cp2k <<a href data-email-masked rel="nofollow">c...@googlegroups.com</a>><br>
<b>Betreff:</b> [CP2K:15695] F: 617 error<u></u><u></u></span></p>
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<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Hi, I tried to adapt the NaCl cell optimization tutorial for Bulk Si. However, I am facing the following error. Is there any way of figuring what this error points to in my input script?<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"> *******************************************************************************<u></u><u></u></p>
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<p class="MsoNormal"> *   ___                                                                       *<u></u><u></u></p>
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<p class="MsoNormal"> *  /   \                                                                      *<u></u><u></u></p>
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<p class="MsoNormal"> * [ABORT]                                                                     *<u></u><u></u></p>
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<p class="MsoNormal"> *  \___/                             CPASSERT failed                          *<u></u><u></u></p>
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<p class="MsoNormal"> *    |                                                                        *<u></u><u></u></p>
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<p class="MsoNormal"> *  O/|                                                                        *<u></u><u></u></p>
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<p class="MsoNormal"> * /| |                                                                        *<u></u><u></u></p>
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<p class="MsoNormal"> * / \                                               input/input_parsing.F:617 *<u></u><u></u></p>
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<p class="MsoNormal"> *******************************************************************************<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"> ===== Routine Calling Stack =====<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">            6 val_create_parsing<u></u><u></u></p>
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<p class="MsoNormal">            5 section_vals_parse<u></u><u></u></p>
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<p class="MsoNormal">            4 section_vals_parse<u></u><u></u></p>
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<p class="MsoNormal">            3 section_vals_parse<u></u><u></u></p>
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<p class="MsoNormal">            2 section_vals_parse<u></u><u></u></p>
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<p class="MsoNormal">            1 read_input<u></u><u></u></p>
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<p class="MsoNormal">--------------------------------------------------------------------------<u></u><u></u></p>
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<p class="MsoNormal">MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD<u></u><u></u></p>
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<p class="MsoNormal">with errorcode 1.<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.<u></u><u></u></p>
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<p class="MsoNormal">You may or may not see output from other processes, depending on<u></u><u></u></p>
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<p class="MsoNormal">exactly when Open MPI kills them.<u></u><u></u></p>
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