<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear Shixun, <div class=""><br class=""></div><div class="">the error is pretty clear, your particles are way too close, so there must </div><div class="">be <a href="http://s.th" class="">s.th</a>. wrong with either your geometry and/or cell. However, the output </div><div class="">was created by a completely different input "Si_bulk8.inp“. So maybe in </div><div class="">addition also an error in your job submission script?!?</div><div class=""><br class=""></div><div class="">Greetings, </div><div class="">Thomas</div><div class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 16.04.2020 um 14:25 schrieb shixun sun <<a href="mailto:suns...@gmail.com" class="">suns...@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Dear CP2K users,<br class=""><br class="">I'm trying to run cutoff test however I run into the following error:<br class=""><br class=""><br class=""><div class=""> WARNING| Particles: 114 82 at distance [au]: 0.00000120 less than: 0.01889726; increase EMAX_SPLINE.</div><div class=""><br class=""></div><div class=""> *******************************************************************************</div><div class=""> * ___ *</div><div class=""> * / \ *</div><div class=""> * [ABORT] *</div><div class=""> * \___/ GEOMETRY wrong or EMAX_SPLINE too small! *</div><div class=""> * | *</div><div class=""> * O/| *</div><div class=""> * /| | *</div><div class=""> * / \ fist_neighbor_lists.F:607 *</div><div class=""> *******************************************************************************</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""> ===== Routine Calling Stack ===== </div><div class=""><br class=""></div><div class=""> 7 build_neighbor_lists</div><div class=""> 6 build_fist_neighbor_lists</div><div class=""> 5 topology_generate_bond_3</div><div class=""> 4 topology_generate_bond</div><div class=""> 3 connectivity_control</div><div class=""> 2 topology_control</div><div class=""> 1 CP2K</div><div class=""><br class=""></div><span style="color: rgb(46, 48, 51); font-family: Arial, "Microsoft YaHei", 微软雅黑, 宋体, "Malgun Gothic", Meiryo, sans-serif; font-size: 13.6px; font-variant-numeric: normal; font-variant-east-asian: normal; line-height: 17.9875px;" class="">I went to Google group to check, but the solution is still not clear. I tried this again with graphite composites in MS and the result was the same. I just took it out and figured it out, and the error is still this one. I really have no idea. I'd like to consult you</span><br class=""><br class="">I've attached the input files that I've used and the output file produced.<br class=""><br class="">Any help would be greatly appreciated, thank you.<br class=""></div><div class=""><br class="webkit-block-placeholder"></div>
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<span id="cid:79d98cd1-491a-41da-81d5-400b675554e5"><template.inp></span><span id="cid:a07c90dd-4946-46f8-935d-721385e6d48d"><layer.out></span><span id="cid:938b36a7-930a-4cf2-8c70-8c904ec7bebe"><GT8_S0X[W_`O)PD6X5KB81V.png></span></div></blockquote></div><br class=""></div><br class=""><br class=""><div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">==============================</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Thomas D. Kühne</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Dynamics of Condensed Matter</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Chair of Theoretical Chemistry</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">University of Paderborn</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Warburger Str. 100</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">D-33098 Paderborn</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Germany</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class=""><a href="mailto:tdku...@mail.upb.de" class="">tdku...@mail.upb.de</a></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">+49/(0)5251/60-5726</div></div></div></div>
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