[QE-users] Test suite pw_vdw - xdm.in: FAILED

[Paolo Giannozzi]

Some of those PP files are not found on the PP web repository. It is
preferrable to delete just the PP file used in the test that fails. The
clean_ps script is likely incomplete and does not delete all the files that
should be deleted.

Paolo

Il lun 10 set 2018 07:37 Lorenzo Paulatto <paulatz at gmail.com> ha scritto:

> Delete all the pseudos on top
>
> --
> Lorenzo Paulatto
> Written on a virtual keyboard with real fingers
>
> On 10 Sep 2018 03:06, "Daniel Ortiz Gutierrez" <dortizg at cinvestav.mx>
> wrote:
>
> Thank Dr. Pietro, i ran the clean_ps script and the make
> run-tests-pw-parallel, but the problem persist,  the pseudopotentials
> directory's content after to download is:
>
> ls pseudo/
> Al.pz-vbc.UPF              H.blyp-vbc.UPF            O.pz-rrkjus.UPF
> As.pz-bhs.UPF              H.coulomb-ae.UPF          O.pz-van_ak.UPF
> Au.pz-rrkjus_aewfc.UPF     H.pbe-kjpaw.UPF           O_US.van
> clean_ps                   H.pz-vbc.UPF              Pb.pz-d-van.UPF
> CorelUSPBE.RRKJ3.UPF       H.tpss-mt.UPF
> Pt.rel-pbe-n-rrkjus.UPF
> C.pbe-mt_gipaw.UPF         HUSPBE.RRKJ3              Pt.rel-pz-n-rrkjus.UPF
> C.pbe-n-kjpaw_psl.0.1.UPF  H_US.van                  Rh.pbe-rrkjus_lb.UPF
> C.pbe-rrkjus.UPF           Ni.pbe-nd-rrkjus.UPF      Rhs.pbe-rrkjus_lb.UPF
> C.pbe-van_bm.UPF           Ni.pz-nd-rrkjus.UPF       rVV10_kernel_table
> C.pz-rrkjus.UPF            Ni.rel-pbe-nd-rrkjus.UPF  Si.bhs
> C.tpss-mt.UPF              N.pbe-kjpaw.UPF           Si.pbe-rrkj.UPF
> Cu.pbe-kjpaw.UPF           O.blyp-mt.UPF             Si.pz-vbc.UPF
> Cu.pz-d-rrkjus.UPF         O.pbe-kjpaw.UPF           Si.rel-pbe-rrkj.UPF
> Fe.pz-nd-rrkjus.UPF        O.pbe-rrkjus.UPF          Ti.pz-sp-van_ak.UPF
> Ge.pbe-kjpaw.UPF           O.pz-kjpaw.UPF            vdW_kernel_table
>
> is this okay?
>
> Regards
>
> Daniel Ortiz
>
>
>
> On 09/09/2018 12:37 AM, Pietro Delugas wrote:
>
> Hi Daniel
>
> There was some problem while updating pseudopotentials in the site. For a
> short time some paw  files had the wrong content.  Now everything is fine.
>
> Just go to the pseudo directory and run the clean_ps script, then retry
> the tests.
> Regards Pietro
>
> Il 09 set 2018 6:05 AM, Daniel Ortiz Gutierrez <dortizg at cinvestav.mx>
> <dortizg at cinvestav.mx> ha scritto:
>
> Hello,
>
> I have a issue to running test-suite qe-6.3.1, the error is:
>
> *pw_vdw - xdm.in <http://xdm.in>: **FAILED**.*
> *Different sets of data extracted from benchmark and test.*
> *    Data only in benchmark: f1, n1, e1, band, ef1.*
>
> *All done. ERROR: only 183 out of 184 tests passed.*
> *Failed test in:*
> *    /lustre/.root/qe/qe-6.3/test-suite/pw_vdw/*
> *make: *** [run-tests-pw-parallel] Error 1*
>
> And the output file test.out.080918.inp\=xdm.in show:
>
> .......
> *     Error in routine init_xdm (1):*
> *     XDM only implemented for PAW*
> .......
>
>
> Thanks in advance.
>
> Regards,
>
> Daniel Ortiz
>
>
>
>
>
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