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

[Pietro Delugas]

Yes

Lorenzo is right.

clean_ps needs to be updated  adding the some pseudo names which are 
missing.

Sorry Daniel I was not aware of this. For yous issue remove manually

    C.pbe-n-kjpaw_psl.0.1.UPF

then run the tests



On 10/09/2018 07:47, Paolo Giannozzi wrote:
> 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 
> <mailto: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 <mailto: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> <mailto: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
>>             <http://xdm.in> show:
>>
>>             .......
>>             *     Error in routine init_xdm (1):**
>>             **     XDM only implemented for PAW*
>>             .......
>>
>>
>>             Thanks in advance.
>>
>>             Regards,
>>
>>             Daniel Ortiz
>>
>>
>>
>>
>>
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