[gpaw-users] bug report, xc/xc.py fails, gpaw install via dnf on fedora 30,

[Dr M C Nelson]

Following a fresh install of gpaw via *dnf install *gpaw**, the command 
*gpaw test* produces the following errors on multiple different hardware 
platforms.   Many are also produced by *gpaw3 test*.


xc/xc.py                                      0.013  FAILED!
#############################################################################
Traceback (most recent call last):
   File "/usr/lib64/python2.7/site-packages/gpaw/test/__init__.py", line 
643, in run_one
     exec(compile(fd.read(), filename, 'exec'), loc)
   File "/usr/lib64/python2.7/site-packages/gpaw/test/xc/xc.py", line 
83, in <module>
     equal(error, 0, 6e-9)
   File "/usr/lib64/python2.7/site-packages/gpaw/test/__init__.py", line 
29, in equal
     raise AssertionError(msg)
AssertionError: inf != 0 (error: |inf| > 6e-09)
#############################################################################

vdw/potential.py /usr/lib64/python2.7/site-packages/gpaw/xc/vdw.py:833: 
FutureWarning: Using a non-tuple sequence for multidimensional indexing 
is deprecated; use `arr[tuple(seq)]` instead of `arr[seq]`. In the 
future this will be interpreted as an array index, `arr[np.array(seq)]`, 
which will result either in an error or a different result.
   v_g += v0_g[slice]
/usr/lib64/python2.7/site-packages/gpaw/xc/vdw.py:834: FutureWarning: 
Using a non-tuple sequence for multidimensional indexing is deprecated; 
use `arr[tuple(seq)]` instead of `arr[seq]`. In the future this will be 
interpreted as an array index, `arr[np.array(seq)]`, which will result 
either in an error or a different result.
   deda2_g += deda20_g[slice]
      3.941  OK


mgga/mgga_restart.py 
/usr/lib64/python2.7/site-packages/gpaw/xc/gga.py:153: RuntimeWarning: 
invalid value encountered in multiply
   grad_v[v](dedsigma_xg[2 * s] * gradn_svg[s, v], vv_g)
/usr/lib64/python2.7/site-packages/gpaw/xc/gga.py:78: RuntimeWarning: 
invalid value encountered in multiply
   rgd.derivative2(-2 * rgd.dv_g * dedsigma_xg[2 * s] * a_sg[s],
/usr/lib64/python2.7/site-packages/gpaw/atom/radialgd.py:128: 
RuntimeWarning: invalid value encountered in subtract
   b_g[1:-1] = 0.5 * (c_g[2:] - c_g[:-2])
/usr/lib64/python2.7/site-packages/gpaw/atom/radialgd.py:129: 
RuntimeWarning: invalid value encountered in double_scalars
   b_g[-2] = c_g[-1] - 0.5 * c_g[-3]
/usr/lib64/python2.7/site-packages/gpaw/xc/gga.py:39: RuntimeWarning: 
invalid value encountered in multiply
   B_vsg = dedsigma_xg[::2] * b_vsg
      5.837  OK


kpt_refine.py /usr/lib64/python2.7/site-packages/gpaw/kpt_refine.py:359: 
FutureWarning: arrays to stack must be passed as a "sequence" type such 
as list or tuple. Support for non-sequence iterables such as generators 
is deprecated as of NumPy 1.16 and will raise an error in the future.
   assert bzk_kc.shape[0] == np.vstack({tuple(row) for row in 
bzk_kc}).shape[0]


xc/atomize.py /usr/lib64/python2.7/site-packages/gpaw/xc/gga.py:36: 
RuntimeWarning: invalid value encountered in multiply
   dEdD_sqL += np.dot(rgd.dv_g * dedn_sg,
     15.414  OK


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