[ase-users] ASE installation problem : test ase failed
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Wed Feb 10 08:15:57 CET 2016
On 12/22/2015 01:39 PM, Santu Baidya wrote:
> Ca any one please tell me how to solve this error so that I can
> install the software.
Please make sure that you run the tests in an empty folder.
Jens Jørgen
>
> Thanks,
>
> Santu Baidya
>
>
>
>
> On 15 December 2015 at 18:39, Santu Baidya <santubaidya2009 at gmail.com
> <mailto:santubaidya2009 at gmail.com>> wrote:
>
> Dear ASE admin and ASE users,
>
> I just downloaded python-ase-3.9.1.4567.tar.gz and tried to
> install in my LINUX Ubuntu 14.04 LTS PC.
> I followed the steps from installation guide from website
> https://wiki.fysik.dtu.dk/ase/download.html.
>
> After installation when I tried to test installation using the
> command ...
> "python -c "from ase.test import test; test(verbosity=2,
> display=True)" 2>&1 | tee testase.log"
> it failed with error..............
>
> python 2.7.6 GCC 4.8.2 64bit ELF on Linux x86_64 Ubuntu 14.04 trusty
> Ag-Cu100.py (ScriptTestCase) ... ok
> CO2_Au111.py (ScriptTestCase) ... ok
> COCu111_2.py (ScriptTestCase) ... ok
> aff.py (ScriptTestCase) ... ok
> ag.py (ScriptTestCase) ... ok
> atom.py (ScriptTestCase) ... ok
> atoms_distance.py (ScriptTestCase) ... ok
> atoms_info_copy.py (ScriptTestCase) ... ok
> bader.py (ScriptTestCase) ... ok
> bandgap.py (ScriptTestCase) ... ok
> basin.py (ScriptTestCase) ... ok
> build.py (ScriptTestCase) ... ok
> bulk.py (ScriptTestCase) ... ok
> center.py (ScriptTestCase) ... ok
> com.py (ScriptTestCase) ... ok
> constr_setpos.py (ScriptTestCase) ... ok
> coverage.py (ScriptTestCase) ... ok
> crystal.py (ScriptTestCase) ... ok
> db.py (ScriptTestCase) ... Running: H
> Running: H2O
> Running: O2
> Running: H2
> LBFGS: 0 18:22:05 1.158864 4.4619
> LBFGS: 1 18:22:05 1.129374 2.9285
> LBFGS: 2 18:22:05 1.072359 0.5614
> LBFGS: 3 18:22:05 1.070596 0.0991
> LBFGS: 4 18:22:05 1.070541 0.0026
> Running: O2
> LBFGS: 0 18:22:05 0.922681 <tel:0.922681> 3.7034
> LBFGS: 1 18:22:05 0.691988 <tel:0.691988> 1.9589
> LBFGS: 2 18:22:05 0.628304 <tel:0.628304> 0.5011
> LBFGS: 3 18:22:05 0.624816 <tel:0.624816> 0.0669
> LBFGS: 4 18:22:05 0.624750 <tel:0.624750> 0.0019
> Running: Cu
> Deleted 1 row
> Added 12 key-value pairs (6 pairs updated)
> Removed 0 key-value pairs
> Added 0 key-value pairs (0 pairs updated)
> Removed 6 key-value pairs
> FAIL
> db2.py (ScriptTestCase) ... ok
> dependency_backend_gdk.py (ScriptTestCase) ... ok
> dependency_backend_gtkagg.py (ScriptTestCase) ... ok
> dependency_gtk.py (ScriptTestCase) ... ok
> dependency_matplotlib.py (ScriptTestCase) ... ok
> dihedralconstraint.py (ScriptTestCase) ... ok
> dimer.py (ScriptTestCase) ... ok
> dimer_method.py (ScriptTestCase) ... ok
> distance.py (ScriptTestCase) ... ok
> distmom.py (ScriptTestCase) ... ok
> eam_test.py (ScriptTestCase) ... ok
> emt.py (ScriptTestCase) ... ok
> emt1.py (ScriptTestCase) ... ok
> emt2.py (ScriptTestCase) ... ok
> emt_h3o2m.py (ScriptTestCase) ... ok
> eos.py (ScriptTestCase) ... ok
> eoswoase.py (ScriptTestCase) ... ok
> example.py (ScriptTestCase) ... ok
> fcc111_root.py (ScriptTestCase) ... ok
> fix_bond_length_mic.py (ScriptTestCase) ... ok
> geometry.py (ScriptTestCase) ... ok
> h2.py (ScriptTestCase) ... ok
> hcp.py (ScriptTestCase) ... ok
> idpp.py (ScriptTestCase) ... ok
> maxwellboltzmann.py (ScriptTestCase) ... ok
> md.py (ScriptTestCase) ... ok
> mic.py (ScriptTestCase) ... ok
> minimahop.py (ScriptTestCase) ... ok
> n2.py (ScriptTestCase) ... ok
> neb.py (ScriptTestCase) ... ok
> neighbor.py (ScriptTestCase) ... ok
> niggli.py (ScriptTestCase) ... ok
> noncollinear.py (ScriptTestCase) ... ok
> pourbaix.py (ScriptTestCase) ... skipped ok
> properties.py (ScriptTestCase) ... ok
> pull.py (ScriptTestCase) ... ok
> repeat_FixAtoms.py (ScriptTestCase) ... ok
> replay.py (ScriptTestCase) ... ok
> rotate.py (ScriptTestCase) ... ok
> rotate_euler.py (ScriptTestCase) ... ok
> scaled_positions.py (ScriptTestCase) ... ok
> scientificpython_bug.py (ScriptTestCase) ... (skipped) ok
> set_get_angle.py (ScriptTestCase) ... ok
> set_momenta.py (ScriptTestCase) ... ok
> singlepointcalc.py (ScriptTestCase) ... ok
> stm.py (ScriptTestCase) ... ok
> strain.py (ScriptTestCase) ... ok
> strain_emt.py (ScriptTestCase) ... ok
> stress.py (ScriptTestCase) ... ok
> surface.py (ScriptTestCase) ... ok
> things.py (ScriptTestCase) ... ok
> unitcellfilter.py (ScriptTestCase) ... ok
> vacancy.py (ScriptTestCase) ... ok
> verlet.py (ScriptTestCase) ... ok
> vib.py (ScriptTestCase) ... ok
> vtk_pipeline.py (ScriptTestCase) ... skipped ok
> abinit/abinit_Si.py (ScriptTestCase) ... skipped ok
> abinit/abinit_cmdline.py (ScriptTestCase) ... ok
> aims/H2O_aims.py (ScriptTestCase) ... skipped ok
> aims/aims_cmdline.py (ScriptTestCase) ... skipped ok
> calculator/al.py (ScriptTestCase) ... ok
> calculator/bandgap.py (ScriptTestCase) ... ok
> calculator/h2.py (ScriptTestCase) ... ok
> calculator/kd2mp.py (ScriptTestCase) ... ok
> calculator/traj.py (ScriptTestCase) ... ERROR
> castep/castep_interface.py (ScriptTestCase) ... skipped ok
> cmr/ase_rw.py (ScriptTestCase) ... skipped ok
> cmr/cmr_rw.py (ScriptTestCase) ... (skipped) ok
> cmr/reactions.py (ScriptTestCase) ... ok
> cmr/reactions_run.py (ScriptTestCase) ... skipped ok
> cmr/reactions_test.py (ScriptTestCase) ... skipped ok
> cmr/reactions_xsimple.py (ScriptTestCase) ... skipped ok
> cmr/rw.py (ScriptTestCase) ... skipped ok
> dftb/test_simple.py (ScriptTestCase) ... skipped ok
> dftb/test_tricky.py (ScriptTestCase) ... skipped ok
> elk/Al_rmt.py (ScriptTestCase) ... skipped ok
> elk/elk_cmdline.py (ScriptTestCase) ... skipped ok
> exciting/exciting.py (ScriptTestCase) ... skipped ok
> fio/abinit.py (ScriptTestCase) ... ok
> fio/cfg.py (ScriptTestCase) ... ok
> fio/extxyz.py (ScriptTestCase) ... ok
> fio/info.py (ScriptTestCase) ... ok
> fio/magmom.py (ScriptTestCase) ... ok
> fio/netcdf.py (ScriptTestCase) ... ok
> fio/netcdftrajectory.py (ScriptTestCase) ... skipped ok
> fio/nwchem.py (ScriptTestCase) ... skipped ok
> fio/oi.py (ScriptTestCase) ... ERROR
> fio/oldtraj.py (ScriptTestCase) ... ok
> fio/res.py (ScriptTestCase) ... ok
> fio/trajectory.py (ScriptTestCase) ... ok
> fio/v_sim.py (ScriptTestCase) ... skipped ok
> fleur/fleur_cmdline.py (ScriptTestCase) ... skipped ok
> ga/basic_example_create_database.py (ScriptTestCase) ... ok
> ga/basic_example_main_run.py (ScriptTestCase) ... ok
> ga/create_database.py (ScriptTestCase) ... ok
> ga/cutandsplicepairing.py (ScriptTestCase) ... ok
> ga/database_logic.py (ScriptTestCase) ... ok
> ga/element_operators.py (ScriptTestCase) ... ok
> ga/mutations.py (ScriptTestCase) ... ok
> ga/particle_comparators.py (ScriptTestCase) ... ok
> ga/particle_operators.py (ScriptTestCase) ... ok
> ga/standardcomparator.py (ScriptTestCase) ... ok
> gaussian/gaussian_cmdline.py (ScriptTestCase) ... skipped ok
> gaussian/h2of.py (ScriptTestCase) ... skipped ok
> gaussian/water.py (ScriptTestCase) ... skipped ok
> gromacs/test_gromacs.py (ScriptTestCase) ... skipped ok
> jacapo/jacapo.py (ScriptTestCase) ... (skipped) ok
> mopac/mopac_cmdline.py (ScriptTestCase) ... skipped ok
> nwchem/nwchem_broken_symmetry.py (ScriptTestCase) ... ok
> nwchem/nwchem_cmdline.py (ScriptTestCase) ... skipped ok
> nwchem/nwchem_h3o2m.py (ScriptTestCase) ... skipped ok
> nwchem/nwchem_spin_symmetry.py (ScriptTestCase) ... ok
> nwchem/nwchem_strong_levelshift.py (ScriptTestCase) ... ok
> tasks/analyse.py (ScriptTestCase) ... ok
> tasks/dcdft.py (ScriptTestCase) ... ok
> tasks/gbrv.py (ScriptTestCase) ... ok
> tasks/htb.py (ScriptTestCase) ... ok
> tasks/mmbjmp.py (ScriptTestCase) ... ok
> turbomole/turbomole_H2.py (ScriptTestCase) ... skipped ok
> turbomole/turbomole_h3o2m.py (ScriptTestCase) ... skipped ok
> vasp/vasp_Al_volrelax.py (ScriptTestCase) ... skipped ok
> vasp/vasp_co.py (ScriptTestCase) ... skipped ok
> COCu111.py (ScriptTestCase) ...
> /usr/lib/pymodules/python2.7/matplotlib/backends/backend_gtk.py:250:
> Warning: Source ID 31 was not found when attempting to remove it
> gobject.source_remove(self._idle_event_id)
> ok
>
> ======================================================================
> ERROR: calculator/traj.py (ScriptTestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
> File "/home/santuphys/ase/ase/test/__init__.py", line 51, in
> testfile
> {'display': self.display})
> File "/home/santuphys/ase/ase/test/calculator/traj.py", line 35,
> in <module>
> os.mkdir(name + '-test')
> OSError: [Errno 17] File exists: 'emt-test'
>
> ======================================================================
> ERROR: fio/oi.py (ScriptTestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
> File "/home/santuphys/ase/ase/test/__init__.py", line 51, in
> testfile
> {'display': self.display})
> File "/home/santuphys/ase/ase/test/fio/oi.py", line 86, in <module>
> assert np.all(np.abs(a1.get_positions() -
> AttributeError: 'list' object has no attribute 'get_positions'
>
> ======================================================================
> FAIL: db.py (ScriptTestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
> File "/home/santuphys/ase/ase/test/__init__.py", line 51, in
> testfile
> {'display': self.display})
> File "/home/santuphys/ase/ase/test/db.py", line 23, in <module>
> assert len(list(con.select())) == 5
> AssertionError
>
> ----------------------------------------------------------------------
> Ran 142 tests in 97.821s
>
> FAILED (failures=1, errors=2)
>
> ----------------------------------------------------------------------------------------------
>
> Please help me to install it properly.
>
> Thanks in advance,
>
> Santu baidya
> University of Duisburg-Essen
> Germany
>
>
>
>
>
>
>
>
>
>
> _______________________________________________
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> ase-users at listserv.fysik.dtu.dk
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