The BASIS-SET file can not be found in the default path. Maybe the /public/software/apps/cp2k/cp2k-5.1/data directory has been deleted.<div>Possible solution:</div><div>Copy the GTH_BASIS_SETS from the source code manually to your job directory and specify the path of the GTH_BASIS_SETS in the .inp file.<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年4月23日星期五 UTC+10 上午3:49:47...@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;"><br><br><div>Dear all,</div><div><span><span><span>Please forgive me now 
that I have just contacted cp2k, and I have been running some examples 
in the test source package recently. What is the problem?</span></span> <span><span>I am very sincerely eager to get an answer?</span></span> <span><span>please.</span></span></span></div><div><span><span><span><br></span></span></span></div><div><span><span><span><span><span><span><span><span><span>Below is the problem I encountered</span></span></span></span></span></span></span></span></span></div><div><span><span><span><span><span><span><span><span><span><img alt="2021-04-23 01-38-05 的屏幕截图.png" width="542px" height="102px" src="https://groups.google.com/group/cp2k/attach/135a1b0ca9716/2021-04-23%2001-38-05%20%E7%9A%84%E5%B1%8F%E5%B9%95%E6%88%AA%E5%9B%BE.png?part=0.2&view=1"><br><br></span></span></span></span></span></span></span></span></span></div><div><span><span><span>Below is my output file</span></span></span></div><div><span><span><span></span></span></span><br><span><span><span><span><span><span><span><span><span></span></span></span> </span></span></span></span></span></span></div></blockquote></div>