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<p><font size="-1">Dear Ian <br>
</font></p>
<p><font size="-1">I just compiled pw with gcc-4.8.5 and openmpi
1.10.7 and the test-suite tests are passing, so either it is a
problem in someway related to your input, to some issue related
to the way you compiled the program or to some feature of you
system other than the compiler and the mpi library. <br>
</font></p>
<p><font size="-1">kind regards - Pietro<br>
</font></p>
<p><font size="-1">Could you send you input <br>
</font></p>
<div class="moz-cite-prefix">On 20/12/19 16:23, Ian Shuttleworth
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMNPTZgKsPaA2pu2vO3gC+rY2+8Md10qdkA8H3MMgerCQkDgmQ@mail.gmail.com">
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<div>Dear all</div>
<div><br>
</div>
<div>I encounter MPI communication errors when running 6.5
compiled both with gcc-4.8.5 and openMPI 1.10.7, and also
- on another HPC - compiled with gcc 6.4.0 and open
OpenMPI 2.1.2.</div>
<div><br>
</div>
<div><br>
</div>
<div>The code starts correctly with statements:</div>
<div><br>
</div>
<div> This program is part of the open-source Quantum
ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21
395502 (2009);<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 29
465901 (2017);<br>
URL <a href="http://www.quantum-espresso.org"
moz-do-not-send="true">http://www.quantum-espresso.org</a>",
<br>
in publications or presentations arising from this
work. More details at<br>
<a href="http://www.quantum-espresso.org/quote"
moz-do-not-send="true">http://www.quantum-espresso.org/quote</a></div>
<div> Parallel version (MPI), running on 16
processors<span><span><br>
</span></span></div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>The execution stops with the statement:</div>
<div><br>
</div>
<div> Starting wfcs are 192 randomized atomic wfcs</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>and the following error messages then appear:</div>
<div><br>
[node44:20988] *** An error occurred in MPI_Comm_free<br>
[node44:20988] *** reported by process
[140653000785921,140724603453442]<br>
[node44:20988] *** on communicator MPI_COMM_WORLD<br>
[node44:20988] *** MPI_ERR_COMM: invalid communicator<br>
[node44:20988] *** MPI_ERRORS_ARE_FATAL (processes in this
communicator will now abort,<br>
[node44:20988] *** and potentially your MPI job)</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Compiling 6.4.1 using exactly the same gcc/openmpi's
doesn't produce the same problem, and the execution in
fact completes without error. So my question is: what
differences are there in the MPI between 6.5 and 6.4.1,
and are there any 'tweaks' that could be applied to the
compile script to remove the problems I'm seeing with 6.5?</div>
<div><br>
</div>
<div>With thanks</div>
<div><br>
</div>
<div>Ian Shuttleworth</div>
<div>(Nottingham Trent University)</div>
<div><span><span><br>
</span></span></div>
</div>
</div>
</div>
<br>
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