<div>Dear Soma,</div><div>You may try kernels from this list: https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#CP2K_INPUT.GLOBAL.ELPA_KERNEL . For further advice, we need more information on your hardware (CPU and, if available, GPU).</div><div>Best,</div><div>Frederick</div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">Soma schrieb am Donnerstag, 4. September 2025 um 16:38:52 UTC+2:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><p style="margin-top:0pt;margin-bottom:0pt;margin-left:0in;direction:ltr;unicode-bidi:embed;word-break:normal"><font color="#404040" face="Arial"><span style="font-size:20pt">I am </span><span style="font-size:26.666666px">trying to do all-electron calculation for Ibuprofen molecule. However, it takes too much time, then output file shows "</span><span style="font-size:20pt">WARNING in </span></font><span style="color:rgb(64,64,64);font-size:20pt;font-family:Arial">fm</span><span style="color:rgb(64,64,64);font-size:20pt;font-family:Arial">/cp_fm_elpa.F:521 :: Setting </span><span style="color:rgb(64,64,64);font-size:20pt;font-family:Arial">real_kernel</span><span style="color:rgb(64,64,64);font-size:20pt;font-family:Arial"> for ELPA failed". This message didn't </span><font color="#404040" face="Arial"><span style="font-size:26.666666px">appare when I used the similar input file. I would like to know what I can do for this error. </span></font></p></blockquote></div>

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