<div dir="auto">Thank you for your response. <div dir="auto">Now script is running fine. </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, 30 Nov, 2023, 9:46 pm Marcella Iannuzzi, <<a href="mailto:marci.akira@gmail.com">marci.akira@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello Mitanshu Vahiya<div><br></div><div>The error is triggered by </div><div>  &PROPERTIES<br>    &ATOMIC<br>      ENERGY TRUE<br>    &END ATOMIC<br>  &END PROPERTIES</div><div><br></div><div>Regards</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Thursday, November 30, 2023 at 2:40:35 PM UTC+1 Vahiya Mitanshu wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hello cp2k users,<br>I'm working on AIMD simulation of 128 atoms of ZrCu system. Firstly i optimized the structure by GEO_OPT(run_type). Then after i started the MD(RUN_TYPE) run to generate the melt. But i'm getting error of CPASSERT failed during this run. Could anyone provide hint what am i doing wrong. I have attached the files for reference.<br>Thanking you,<br>Mitanshu Vahiya.</blockquote></div>

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