<div dir="ltr"><div>Hi,</div><div><br></div><div>From the screenshot it looks like you built the toolchain successfully. Now you can build cp2k as mentioned in the instructions. You can do a regression test after compilation which gives you a summary of correct and wrong tests. To do tests simply add "test" at the end of your make invocation, for example <i> make -j 112 ARCH=local VERSION="popt" test</i> would test the popt executable. If you check the output of this regression test you would find <i>cp2k_prefix</i> which shows how the tests are executed. You may use the same way of execution with your input files.</div><div><br></div><div>Best,</div><div>Pavan.<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Mar 7, 2020 at 11:38 AM jitong yan <<a href="mailto:yanjit...@gmail.com">yanjit...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">i had followed the tips as picture say and there was no error, but what is embarrassing is that i do not know how to run a task at all so ...<div>1.Did i compile the cp2k sucessfully?</div><div>2.which command can run a task using cp2k?</div><div>my server had two<span style="color:rgb(102,102,102);font-family:arial"> </span><span style="color:rgb(0,0,0);font-family:arial">Intel</span><span style="color:rgb(0,0,0);font-family:arial"> Xeon Platinum </span><span style="font-family:arial"><font color="#000000">8180，i think </font><font color="#ff0000">mpirun</font><font color="#000000"> like vasp maybe useful but it didn't work</font></span></div><div><span style="font-family:arial"><font color="#000000"><br></font></span></div><div><span style="font-family:arial"><font color="#000000">can someone give me some advice, i will be very very appreciate.</font></span></div><div><span style="font-family:arial"><font color="#000000"><br></font></span></div><div><span style="font-family:arial"><font color="#000000">P.S. i am a very beginner :(</font></span></div></div>
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</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><span style="color:rgb(153,153,153)"><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px">==============================</span></span></span></span></span></span></span><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px"><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px">===</span></span></span></span></span></span></span></span></span></span></span></span></span>=<br>
Pavan Kumar Behara<br></span><span style="font-family:georgia,serif"></span><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><div style="overflow-wrap: break-word;">
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<div><span style="font-size:12px"><div>Department of Chemical and Biological Engineering<br></div><div>514 Furnas Hall<br></div></span></div></div></span></div></span></div></span></div></span><span style="border-collapse:separate;border-spacing:0px"><div style="overflow-wrap: break-word;">
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<div><span style="font-size:12px"><div>University at Buffalo, The State University of New York</div><div>Buffalo, NY 14260-4200</div><div>Tel: <a value="+18144417156">814-441-7156</a></div><div><a href="mailto:ko...@buffalo.edu" target="_blank"><span></span></a></div>
<div><a href="http://www.linkedin.com/pub/pavan-kumar-behara/1a/23b/a02/" title="View public profile" name="SignatureSanitizer_SafeHtmlFilter_1434efc842e12213_1434e9dfc66fae2a_SafeHtmlFilter_webProfileURL" target="_blank">www.linkedin.com/pub/pavan-kumar-behara/1a/23b/a02/</a><br>
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</div></span></div></span></div></span></div></span></span></span></span><span style="color:rgb(153,153,153)"><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px">==============================</span></span></span></span></span></span></span><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px"><span style="font-family:georgia,serif"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="border-collapse:separate;border-spacing:0px"><span style="font-size:12px">===</span></span></span></span></span></span></span></span></span></span></span></span></span>=</span></span></div>
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