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

[Lorenzo Paulatto]

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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