<div dir="auto">Thank you for your kind reply</div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Oct 11, 2022, 12:05 PM Krack Matthias (PSI) <<a href="mailto:matthias.krack@psi.ch">matthias.krack@psi.ch</a>> wrote: </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> <div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="m_-6782791518204037082WordSection1"> Hi Havva The results should not be affected, but possibly the performance. You can set PREFERRED_DIAG_LIBRARY ScaLAPACK in the &GLOBAL section to get rid of that warning. HTH Matthias <div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm"> From: <a href="mailto:cp2k@googlegroups.com" target="_blank" rel="noreferrer">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank" rel="noreferrer">cp2k@googlegroups.com</a>> on behalf of Havva Mehralitabar <<a href="mailto:hmehralitabar@gmail.com" target="_blank" rel="noreferrer">hmehralitabar@gmail.com</a>> Date: Tuesday, 11 October 2022 at 08:38 To: cp2k <<a href="mailto:cp2k@googlegroups.com" target="_blank" rel="noreferrer">cp2k@googlegroups.com</a>> Subject: [CP2K:17833] error in QM/MM simulation output </div> hello everyone <div> I am using Cp2K 2202.1 to run a qmmm run for my system </div> <div> :in the output file which gets converged I have repeated errors as: </div> <div> *** WARNING in fm/cp_fm_elpa.F:521 :: Setting real_kernel for ELPA failed *** </div> <div> I wanted to know what is the cause of this warning and my result will be affected by this error? </div> <div> </div> <div> thank you in advanced </div> <div> </div> <div> Havva Mehralitabar </div> <div> PhD in Biophysics </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank" rel="noreferrer">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/e6a251f9-069d-4262-a2bf-3dc154a0cb23n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="noreferrer"> https://groups.google.com/d/msgid/cp2k/e6a251f9-069d-4262-a2bf-3dc154a0cb23n%40googlegroups.com</a>. </div> </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank" rel="noreferrer">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827E34C551036173953CEE6F4239%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer" target="_blank" rel="noreferrer">https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827E34C551036173953CEE6F4239%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM</a>. </blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAAA6WWHkEzxEoMU7W0R-C3q2jLU9D_r1J8_Fm1HypWsAiLypUg%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAAA6WWHkEzxEoMU7W0R-C3q2jLU9D_r1J8_Fm1HypWsAiLypUg%40mail.gmail.com</a>.