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<div>Hi</div><div><br></div><div>When I compiled QE7.1, it seemed that the Scalapack was automatically installed without being explicitly turned on in the make.inc file (I'm not sure if I am right). Could it be some conflicts between the Scalapack and Intel compilers?</div><div><br></div><div>Mr. Yang Liu</div><div><br></div><div><br></div><div><span></span>----------------------------------------------------------</div><blockquote style="margin-top: 0px; margin-bottom: 0px; margin-left: 0.5em;">
<div>Date: Wed, 2 Nov 2022 14:32:49 +0100</div>
<div>From: Michal Husak <Michal.Husak@vscht.cz></div>
<div>To: <users@lists.quantum-espresso.org></div>
<div>Subject: [QE-users] Again Fatal error in PMPI_Comm_free</div>
<div>Message-ID: <5a4e5843-af14-4dd7-a8e3-bfd77c602613@cln94.vscht.cz></div>
<div>Content-Type: text/plain; charset="UTF-8"; format=flowed</div>
<div> </div>
<div>Hi</div>
<div> </div>
<div>I had recompiled QE for a sueprocmputer using Intel Fortran ...</div>
<div> </div>
<div>Ale tests (including MPI version) pass through without any errors ...</div>
<div> </div>
<div>When I run QE on some real data I get (1 node 128 MPI parallelization) :</div>
<div> </div>
<div> Fatal error in PMPI_Comm_free: Invalid communicator, error stack:</div>
<div> </div>
<div>This issue was already mentioned by Mr. Yang LIU in relation to </div>
<div>single / multiple type of atom calculation ...</div>
<div>Solution was to run</div>
<div>pw.x -ndiag 1</div>
<div> </div>
<div>With -ndiag 1 the error was handled on my side as well ...</div>
<div>But I do work with multiple atoms from beginning so it can not be the </div>
<div>same problem ...</div>
<div> </div>
<div>Any idea what can be wrong ?</div>
<div> </div>
<div>Michal Husak</div>
<div>UCT Prague </div>
<div> </div>
<div><br></div>
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