test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493 [SOLVED]

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etorres
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test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493 [SOLVED]

Post by etorres » 28 Sep 2018, 08:40

Hi everybody,

I am installing Dalton in a Ubuntu 16.04.5 LTS (GNU/Linux 4.15.0-34-generic x86_64). I am using cmake version 3.12.2, GNU Fortran (Ubuntu 5.4.0-6ubuntu1~16.04.10) 5.4.0, Python 2.7.12.
I had no problem with built nor make. I built with:
./setup --fc=gfortran --cc=gcc --cxx=g++
But when I run the test (ctest -j), I get error on tests 12, 13, 14, 79, 423, 430, 444, 486, 487, 488, 491, 492, 493. I attach the "LastTest.log" file for details.
So my questions are, why are these test failing? how can I fix it? Is it critical for using the program?

Thank you in advance
Attachments
LastTest.log
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Last edited by etorres on 04 Oct 2018, 07:55, edited 1 time in total.

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magnus
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by magnus » 28 Sep 2018, 09:19

Which version of Dalton are you using?

etorres
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by etorres » 28 Sep 2018, 13:09

magnus wrote:
28 Sep 2018, 09:19
Which version of Dalton are you using?
I have installed Dalton2018.alpha (2018). I downloaded these files by the command

Code: Select all

sudo git clone --recursive https://gitlab.com/dalton/dalton.git

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magnus
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by magnus » 28 Sep 2018, 13:22

Ok, in that case there are some tests that fail. Some because the tests aren't good (DFT with dispersion corrections), meaning that the functionality works, but for the others I'm not sure. In general, I would recommend that you use the latest release version for production calculations. You can switch to the latest release branch by:

Code: Select all

git checkout release/2016

etorres
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by etorres » 02 Oct 2018, 08:47

Thank you Magnus
It solved the previous errors but some new appeared:
The following tests FAILED:
327 - pehf_iter (Failed)
328 - pehf_direct (Failed)
329 - pehf_gspol (Failed)
330 - pehf_isopol (Failed)
331 - pehf_zero (Failed)
332 - pehf_damp (Failed)
333 - pehf_restart (Failed)
336 - pehsrohf_wft (Failed)
337 - perohf_alpha (Failed)
343 - pehf_nomb (Failed)
345 - pemcscf (Failed)
346 - pesoppa_excit (Failed)
348 - qfit_hf_moments (Failed)
467 - benchmark_eri_adz (Timeout)
468 - benchmark_eri_adzs (Timeout)
469 - benchmark_eri_atzs (Failed)
472 - benchmark_her_adz (Timeout)
473 - benchmark_her_adzs (Timeout)
474 - benchmark_her_atzs (Timeout)
Errors while running CTest
Attachments
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magnus
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by magnus » 02 Oct 2018, 09:04

Sorry, I forgot to mention that after you've switched branch, you will need to update the submodules, i.e.

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git checkout release/2016
git submodule update
and then you are ready to redo the setup and compile. Also I would not worry about the benchmark_* tests and, in fact, I would just skip them.

etorres
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Re: test errors on 12,13,14,79, 423, 430, 444, 486, 487, 488, 491, 492, 493

Post by etorres » 04 Oct 2018, 07:54

Thank you very much magnus. Now all of the tests passed. Only the benchmark_* (467-474) failed or were timeout, but as you indicate me, I will not worry about that

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