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Error in Test RankTwoGeminal.template_params #59

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sfias opened this issue Mar 2, 2018 · 1 comment
Open

Error in Test RankTwoGeminal.template_params #59

sfias opened this issue Mar 2, 2018 · 1 comment

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@sfias
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sfias commented Mar 2, 2018

I installed the package using conda and running the nosetests I get the following error:

======================================================================
ERROR: Test RankTwoGeminal.template_params.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/sfias/miniconda3/envs/fanci/lib/python3.6/site-packages/nose/case.py", line 197, in runTest
    self.test(*self.arg)
  File "/mnt/c/Users/stijn/horton/olsens/wfns/wfn/geminal/test/test_rank2_approx.py", line 80, in test_rank2_geminal_template_params
    template = test.template_params
  File "/mnt/c/Users/stijn/horton/olsens/wfns/wfn/geminal/rank2_approx.py", line 73, in template_params
    return full_to_rank2(template, rmsd=0.01)
  File "/mnt/c/Users/stijn/horton/olsens/wfns/wfn/geminal/rank2_approx.py", line 446, in full_to_rank2
    'matrix'.format(deviation))
ValueError: Rank-2 coefficient matrix has RMSD of 0.20454745240896396 with the full-rank coefficient matrix

----------------------------------------------------------------------

my conda list is the following

# packages in environment at /home/sfias/miniconda3/envs/fanci:
#
# Name                    Version                   Build  Channel
ca-certificates           2017.08.26           h1d4fec5_0
certifi                   2018.1.18                py36_0
cma                       2.5.3                     <pip>
gmp                       6.1.2                h6c8ec71_1
gmpy2                     2.0.8            py36hc8893dd_2
intel-openmp              2018.0.0             hc7b2577_8
libedit                   3.1                  heed3624_0
libffi                    3.2.1                hd88cf55_4
libgcc-ng                 7.2.0                h7cc24e2_2
libgfortran-ng            7.2.0                h9f7466a_2
libstdcxx-ng              7.2.0                h7a57d05_2
mkl                       2018.0.1             h19d6760_4
mpc                       1.0.3                hec55b23_5
mpfr                      3.1.5                h11a74b3_2
ncurses                   6.0                  h9df7e31_2
nose                      1.3.7            py36hcdf7029_2
numpy                     1.14.1           py36h3dfced4_1
openssl                   1.0.2n               hb7f436b_0
pip                       9.0.1                    py36_5
python                    3.6.4                hc3d631a_1
readline                  7.0                  ha6073c6_4
scipy                     1.0.0            py36hbf646e7_0
setuptools                38.5.1                   py36_0
sqlite                    3.22.0               h1bed415_0
tk                        8.6.7                hc745277_3
wfns                      0.0.0                     <pip>
wheel                     0.30.0           py36hfd4bba0_1
xz                        5.2.3                h55aa19d_2
zlib                      1.2.11               ha838bed_2

I'm not sure if I missed something...

@kimt33
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kimt33 commented Apr 5, 2018

This is a known error resulting from seeding the random module in numpy. I'll fix it by specifying the initial parameters for which the tests pass.

kimt33 added a commit that referenced this issue May 26, 2018
Skip test `test_rank2_geminal_template_params` because it does not work
all the time. In producing `template_params`, random noise is added and
some of the random noise would cause errors.

This test is skipped to play well with Travis. At the moment, rank2
approximation is not too important, so it is not absolutely essential to
fully cover the code.

Issue #59 and PR #63 address this problem, but it is not yet resolved.
Until it become resolved, this test can be skipped
kimt33 added a commit that referenced this issue Aug 8, 2019
Since random numbers are introduced, the template_params is not
determininstic and causes some headache with testing on different
systems (see Issue #59 and PR #63). Even still, random numbers are
introduced to easily obtain "unbaised" denominator that gives
determinant that are approximately 1 (at the very least, nonsingular)
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