<br>Have you checked this <a href="https://www.cp2k.org/howto:compile_with_cuda">URL</a>? currently only DBCSR is running on GPU, make sure your simulations uses that.<br><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年11月20日星期六 UTC+8 01:33:43<7510...@qq.com> 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;">你好，我已收到邮件~谢谢</blockquote></div>

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