Two models failed regression testing
Faraz H
fa... at squashclub.org
Thu Oct 12 13:26:08 UTC 2017
I built cp2k using the toolchain . I ran the regression test and all models
were OK except for these two. Is it something I can ignore ? If not, how
can I debug furthur the issue?
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/home/user/cp2k-4.1/tools/regtesting/TEST-local-ssmp-2017-10-11_16-47-13/SE/regtest-3-2/SiO2.inp.out
:
Total energy \[eV\]: : ref = -2190.7548560169639 new = -2190.71320255555429
relative error : 1.90136533e-05 > numerical tolerance = 6e-07
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/home/user/cp2k-4.1/tools/regtesting/TEST-local-ssmp-2017-10-11_16-47-13/SE/regtest-3-3/H2O-4.inp.out
:
Total energy \[eV\]: : ref = -636.04298707893065 new = -631.01656334427310
relative error : 7.96559714e-03 > numerical tolerance = 2e-11
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