<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 QE Community,<div class=""><br class=""></div><div class="">I am trying to test new GPU version 6.7 of QE on sample SCF job but it is exiting with an error[1].</div><div class="">Can anyone please help to figure out what wrong I am doing here. On side note: relax calculation are working just fine with the same compilation.</div><div class=""><br class=""></div><div class="">[1]</div><div class=""><br class=""></div><div class=""><div class=""> Program PWSCF v.6.7MaX starts on 6Feb2021 at 11:54:50</div><div class=""><br class=""></div><div class=""> This program is part of the open-source Quantum ESPRESSO suite</div><div class=""> for quantum simulation of materials; please cite</div><div class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div class=""> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</div><div class=""> "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);</div><div class=""> URL <a href="http://www.quantum-espresso.org" class="">http://www.quantum-espresso.org</a>",</div><div class=""> in publications or presentations arising from this work. More details at</div><div class=""> <a href="http://www.quantum-espresso.org/quote" class="">http://www.quantum-espresso.org/quote</a></div><div class=""><br class=""></div><div class=""> Serial multi-threaded version, running on 1 processor cores</div><div class=""> Reading input from scf.in</div><div class=""><br class=""></div><div class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div class=""> Error in routine read_namelists (1):</div><div class=""> bad line in namelist &system: " assume_isolated = mt," (error could be in the previous line)</div><div class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div class=""><br class=""></div><div class=""> stopping ...</div><div class="">Warning: ieee_inexact is signaling</div><div class=""><br class=""></div></div><div class="">
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white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">——<br class="">Jatin Kashyap <br class="">Ph.D. Student<br class="">Dr. Dibakar Datta Group</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Department of Mechanical and Industrial Engineering<br class="">New Jersey Institute of Technology (NJIT)</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">University Heights<br class="">Newark, NJ 07102-1982<br class=""></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Phone- (201)889-5783</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Email- <a href="mailto:jk435@njit.edu" class="">jk435@njit.edu</a></div></div></div></div></div></div></div></div></div></div></div></div></div>
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