<div dir="ltr">Dear Prof. <span style="color:rgb(32,33,36);font-size:0.875rem;letter-spacing:0.2px;font-family:Roboto,RobotoDraft,Helvetica,Arial,sans-serif;white-space:nowrap">Laurence Marks</span><div><font color="#202124" face="Roboto, RobotoDraft, Helvetica, Arial, sans-serif"><span style="font-size:14px;letter-spacing:0.2px;white-space:nowrap"><br></span></font></div><div><font color="#202124" face="Roboto, RobotoDraft, Helvetica, Arial, sans-serif"><span style="font-size:14px;letter-spacing:0.2px;white-space:nowrap">Thank you very much for this information<br></span></font><table cellpadding="0" class="gmail-cf gmail-gJ" style="border-collapse:collapse;margin-top:0px;width:auto;font-family:Roboto,RobotoDraft,Helvetica,Arial,sans-serif;font-size:14px;letter-spacing:0.2px;display:block"><tbody style="display:block"></tbody></table></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le sam. 22 juin 2019 à 16:16, Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> a écrit :<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Ignore my last email.<div dir="auto"><br></div><div dir="auto">Running 4 k-pts as you had before is always faster than multithreading.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Jun 22, 2019, 16:06 Laurence Marks <<a href="mailto:laurence.marks@gmail.com" target="_blank">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">This is because you are running 4 kpt-parallel processes, and each is asking for 4 cores, i.e. 16 total. They interfere/clash, hence it is slower.<br><br><div>---<br>Prof Laurence Marks<br>"Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" rel="noreferrer" target="_blank">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Jun 22, 2019, 15:35 Wien2k User <<a href="mailto:wien2k.user@gmail.com" rel="noreferrer" target="_blank">wien2k.user@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Prof. P. Blaha;<div><br></div><div>I did a test to compare the new machines file with the old for example</div><div>i have used 4 core CPU <br></div><div>the new</div><div><br></div><div>1:localhost </div><div>omp_global:4</div><div>.....</div><div><br></div><div>with the old ;</div><div>1:localhost</div><div>1:localhost</div><div>1:localhost</div><div>1:localhost</div><div><br></div><div>I noticed that the calculations with the new file are slower than with the old one with a difference of 5 minutes for 1 cycle calculation of 23/28 minutes<br></div><div><br></div><div><br></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=fypTr9PRHMWdeEVObsoqODSGR_k_KTwkVaxSK7ygM64&s=Msx21aASUOxt_vM9ko7T2j7sqxbgtRV5X1SID8hbL9o&e=" rel="noreferrer noreferrer noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=fypTr9PRHMWdeEVObsoqODSGR_k_KTwkVaxSK7ygM64&s=Msx21aASUOxt_vM9ko7T2j7sqxbgtRV5X1SID8hbL9o&e=</a><br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=fypTr9PRHMWdeEVObsoqODSGR_k_KTwkVaxSK7ygM64&s=bya__2KChacoHpbFbmX3ix9gd3ITHtm8iq2pQsC6CGc&e=" rel="noreferrer noreferrer noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=fypTr9PRHMWdeEVObsoqODSGR_k_KTwkVaxSK7ygM64&s=bya__2KChacoHpbFbmX3ix9gd3ITHtm8iq2pQsC6CGc&e=</a><br>
</blockquote></div>
</blockquote></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div>