Hello all,<br><br>I checked it and there was nothing wrong with the files, but there was something wrong in the process of running the job.<br><br>That is why the program did not work.<br><br>Everything is fine now.<br><br>Thank you.<br><br><br>On Saturday, January 26, 2013 3:48:27 PM UTC-5, SeokYun wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hello all,<div><br></div><div>I thought I have fixed the error, but MD is still not running.</div><div><br></div><div>All the charges, geometry, and size of the super cell should be correct.</div><div><br></div><div>I increased the EMAX as instructed, but it did not work as it resulted in the same error.</div><div><br></div><div><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">*** ERROR in build_neighbor_lists (MODULE fist_neighbor_lists) ***</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica"> *****************************<wbr>******************************<wbr>*******</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica;min-height:14px"><br></p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica"> *** GEOMETRY wrong or EMAX_SPLINE too small! ***</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica;min-height:14px"><br></p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica"> *** Program stopped at line number 619 of MODULE fist_neighbor_lists ***</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica;min-height:14px"><br></p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica"> ===== Routine Calling Stack ===== </p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica;min-height:14px"><br></p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            6 build_neighbor_lists</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            5 build_fist_neighbor_lists</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            4 list_control</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            3 fist_force_control</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            2 qs_mol_dyn_low</p><p style="line-height:normal;margin-bottom:0px;font-size:12px;font-family:Helvetica">            1 CP2K</p></div><div><br></div><div>Could this be the problem with the compiler?</div><div><br></div><div>Could someone help me figure out what could be the potential probelm?</div><div><br></div><div>I attached the files, which are in .txt format.</div><div><br></div><div>Thank you.</div><div><br></div><div>Seok Yun</div></blockquote>