<HTML><BODY><div class="js-helper js-readmsg-msg"><div id="style_17004800761251758184"><div id="style_17004800761251758184_BODY"><div class="cl_492821"><div class="js-helper_mr_css_attr js-readmsg-msg_mr_css_attr"><div id="style_17003482811142120180_mr_css_attr"><div id="style_17003482811142120180_BODY_mr_css_attr"><div class="cl_430104_mr_css_attr"><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"><span style="max-width: 2150px;">Dear wien2k community,</span></div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px">I am trying to check the convergence of problem with respect to Emax and the problem fails starting Emax~=8.5 (strained InP, 2 atoms in elementary cell) with segfault for lapwso. </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px">WIEN2k version is 23.2. Intel OneAPI 21 (ifort (IFORT) 2021.11.0 20231010).</div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px">The problem occurs in memory allocation, mostly in line 836 of hmsec.F, sometimes in lines 843 or 1185 of same file, deallocation of work arrays. lwork is really small and I have plenty of memory on my system. </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px">The issue seems to have something with the OMP parallelization. The segfault occurs only when the code is run with 6 threads or more. Since I have two Xeon E5-2697 v3 on this machine, I would love to use at least 8 threads.</div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px">Maybe someone has suggestions how to trace/fix this issue? </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"> </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#2c2d2e; font-family:Arial,Tahoma,Verdana,sans-serif; font-size:15px; font-style:normal; font-variant-caps:normal; font-variant-ligatures:normal; font-weight:400; letter-spacing:normal; orphans:2; text-align:start; text-decoration-color:initial; text-decoration-style:initial; text-decoration-thickness:initial; text-indent:0px; text-transform:none; white-space:normal; widows:2; word-spacing:0px"><div><div><div><div><div><div><div><div><div><div><div><div><div><div><div><span style="max-width: 2150px;">Thank you in advance.</span></div><div><span style="max-width: 2150px;"> </span></div><div><span style="max-width: 2150px;">Sincerely yours,<br>Mikhail Nestoklon</span></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></BODY></HTML>