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<div class="moz-cite-prefix">Dear Ian <br>
</div>
<div class="moz-cite-prefix">We checked the test suite with as many
toolchains as possible and all tests were passing for 7.4.1.</div>
<div class="moz-cite-prefix">The failures you report may be due to
your particular build. Could you send us the details of your
build ? <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">In general can always verify the
status ( of the develop ) at this link:</div>
<div class="moz-cite-prefix">
<a class="moz-txt-link-freetext" href="http://test-farm.quantum-espresso.org:8010/#/">http://test-farm.quantum-espresso.org:8010/#/</a></div>
<div class="moz-cite-prefix"> all tests are passing for most of the
architectures and the few failures are passing and the few failure
are due to things added after 7.4.1</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">Pietro <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 4/3/25 04:46, Ian Dunn via users
wrote:<br>
</div>
<blockquote type="cite" cite="mid:AM0PR0202MB34753C1F3EE20A3E7BA2F0DEFFAE2@AM0PR0202MB3475.eurprd02.prod.outlook.com">
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<p class="MsoNormal">I’d like to add some more details to my
previous post.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">The SKIPPED tests (shown below) seem to be
related to libxc. Am I correct to understand that linking
libxc should fix these issues?<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">pw_libxc - lda_pol_atom-lsda.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">pw_libxc - gga_unpol_atom-pbe.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">pw_libxc - hyb_gga_unpol_hse-si111.in:
SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">pw_libxc - mgga_unpol_metaGGA.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">pw_metaGGA - metaGGA-spin.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">cp_h2o_scan_libxc - nspin1.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal">cp_h2o_scan_libxc - nspin2.in: SKIPPED.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">As for the FAILED tests, there are at least
a few different kinds of test failures. Inspecting just a few
of them, I noticed quite a few significant numerical error
failures, such as:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Running MATDYN ...<o:p></o:p></p>
<p class="MsoNormal">ph_2d - matdyn2.in (arg(s): 8): **FAILED**.<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.31e+01 greater
than 2.00e+00. (Test: 153.623568. Benchmark: 120.484548.)<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.32e+01 greater
than 2.00e+00. (Test: 152.592412. Benchmark: 119.428604.)<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.32e+01 greater
than 2.00e+00. (Test: 149.536582. Benchmark: 116.327582.)<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.32e+01 greater
than 2.00e+00. (Test: 144.559796. Benchmark: 111.370081.)<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.30e+01 greater
than 2.00e+00. (Test: 137.807317. Benchmark: 104.835563.)<o:p></o:p></p>
<p class="MsoNormal">phfreq<o:p></o:p></p>
<p class="MsoNormal"> ERROR: absolute error 3.24e+01 greater
than 2.00e+00. (Test: 129.433032. Benchmark: 97.055119.)<o:p></o:p></p>
<p class="MsoNormal">……<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I also noticed in the SiC.phG.restart2.in
example that the job fails since the pseudopotential copied
into SiC.save is an empty file.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">There are probably other error messages
embedded in the test.out files, but rather than spend a while
cataloging I’d like to see what is already known on the
test-suite topic by people in the forum.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal"><span style="mso-ligatures:none">Best
regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-ligatures:none">Ian Dunn<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-ligatures:none">ASML<o:p></o:p></span></p>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<div style="border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal"><b><span style="font-family:"Calibri",sans-serif;mso-ligatures:none">From:</span></b><span style="font-family:"Calibri",sans-serif;mso-ligatures:none">
users <a class="moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org"><users-bounces@lists.quantum-espresso.org></a>
<b>On Behalf Of </b>Ian Dunn via users<br>
<b>Sent:</b> Wednesday, April 2, 2025 9:18 PM<br>
<b>To:</b> <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br>
<b>Subject:</b> [QE-users] Test-suite failing QE-7.4.1<o:p></o:p></span></p>
</div>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<div style="border:none;border-left:solid #FF7F45 6.0pt;padding:0in 0in 0in 0in" id="extban1">
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<p class="MsoNormal" style="background:#1C7DDB"><b><span style="font-size:8.5pt;font-family:"Arial",sans-serif;color:white;mso-ligatures:none">CAUTION:</span></b><span style="font-size:8.5pt;font-family:"Arial",sans-serif;color:white;mso-ligatures:none">
This message is from an external sender<o:p></o:p></span></p>
</div>
</div>
</div>
<div>
<p class="MsoNormal">Hi, I’m a new Quantum Espresso user and
would like to check that my installation of QE was
successful. I have attempted to run the test suite and was
able to get all the paths setup properly to my knowledge and
pseudopotentials downloaded, but I’m getting errors from
some of the tests. I execute the test suite by running “make
run-tests”.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">In version 7.3.1 from the QE website I
was already getting errors so I tried running 7.4.1 off of
Gitlab in hopes that the test-suite would be fixed in the
latest release. Here is a summary of the output in v7.4.1:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">PW:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">All done. 248 out of 248 tests passed (5
skipped).<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">CP:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">All done. 33 out of 33 tests passed (2
skipped).<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">PH:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">All done. ERROR: only 23 out of 73 tests
passed.<o:p></o:p></p>
<p class="MsoNormal">Failed tests in:<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_1d/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_2d/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_U_insulator_paw/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_U_insulator_us/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_U_metal_paw/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_U_metal_us/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_ahc_diam/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_base/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_insulator_paw_magn/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_insulator_us_magn/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_interpol_metal/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_metal/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_restart/<o:p></o:p></p>
<p class="MsoNormal">
/hpc/home/idunn/7.4.1/test-suite/ph_twochem/<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">And after PH none of the other test
categories run.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Is there a problem with the
compilation/installation and should I (mis)trust the
results? Is this known behavior? Also why are some tests
being skipped and does that also present a problem? Thanks
in advance for your support!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="mso-ligatures:none">Best
regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="mso-ligatures:none">Ian Dunn<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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