Thank you for your instruction. I have switched to another nodes with large memory. I can get the force.<div><br /></div><div>Best,</div><div>Yaolong<br /><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2024年1月26日星期五 UTC-7 02:22:28<Jürg Hutter> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>any updates on this problem? From your input and output I would
<br>expect the forces to be about 4x more expensive than your first SCF
<br>step, i.e about 1400 seconds.
<br>If the job stalled longer, I would suggest to investigate possible memory issues.
<br>
<br>regards
<br>JH
<br>
<br>________________________________________
<br>From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of yl z <<a href data-email-masked rel="nofollow">yzol...@gmail.com</a>>
<br>Sent: Thursday, January 25, 2024 7:12 AM
<br>To: cp2k
<br>Subject: [CP2K:19808] revPBE0 stuck on the force calculation
<br>
<br>Hi all,
<br>
<br>I run the calculation of 150 waters on Au(111) surface (6*6*4) with a CO molecule adsorbed. Everything was fine for the electronic scf calculation. However, it will stuck on the force calculation. The job is still alive but noting output. I have attached my input file and output file. Any help would be appreciated.
<br>
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<br></blockquote></div>

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