<HTML><BODY><div><div><span style="color: rgb(51, 51, 51); font-family: Arial, Tahoma, Verdana, sans-serif; font-size: 15px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: rgb(255, 255, 255); text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;">Dear wien2k community,</span></div><div>I am trying to use new script optimize_abc_lapw on a cluster. Something in its behavior in terms of computer power consumption confused me and I am checking how it actually works. I realized that at some point (at least when ‘doing x-zchange’) it runs lapw0 and lapw1c and not lapw0_mpi, etc. The most strange part is that when it starts it correctly uses mpi versions of the programs. </div><div style="-webkit-text-stroke-width:0px; background-color:#ffffff; color:#333333; 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 id="style_15755737031889327698_BODY_mr_css_attr"><div><div><div><div><div id="style_15755539091081017696_BODY_mr_css_attr"><div><div><div><div><div id="style_15753982550900515194_BODY_mr_css_attr"><div><div><div><div> </div><div>Is this correct behavior?</div></div><div> </div><div>I run the script as ‘optimize_abc_lapw -p’ at the end of slurm script which prepares .machines file. </div><div>The structure is hexagonal.</div><div><br> </div><div>Thank you in advance.</div><div> </div><div>Sincerely yours,<br>Mikhail Nestoklon</div><div> </div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><div> </div></BODY></HTML>