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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