mailRe: System tests


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Posted by Edward d'Auvergne on May 25, 2009 - 13:36:
Hi,

These failures are not too bad.  The first is just because of the
precision differences of the combination of the operating system, CPU
architecture, Python version, and numpy version.  Would it be possible
to try this on python 2.4?  If the exact cause can be found, we can
catch it on line 388 of test_suite/system_tests/model_free.py (in the
1.3 line) and add an exception.  If the hardware and software appears
to be the same, try modifying the code so that this test fails on all
systems.  Then you'll have the printout of CPU and software details to
help track down a difference.

The second test is a worry though.  I'm not sure what's happening, but
the precision is horrible on this setup.  The
unittest.TestCase.assertAlmostEqual() method is used to check this to
the default of 7 decimal places.  I'll shift the test from picoseconds
to nanoseconds to fix the problem in this case, but still something is
not ideal with this combination of hardware+software.

Regards,

Edward


On Fri, May 15, 2009 at 6:34 PM, Sébastien Morin
<sebastien.morin.1@xxxxxxxxx> wrote:
Hi,

Running the system tests, depending on the actual Linux system I use,
the errors I get are different...

Prsently, the system tests on relax-1.3 should give rise to 3 errors. On
one system in the lab here, we observe this behaviour. Fine.

However, on others systems, we observe two additional failures:


============================================
============================================
FAIL: Constrained BFGS opt, backtracking line search {S2=0.970, te=2048,
Rex=0.149}

Parameter values: array([  9.70000000e-01,   2.04800000e+03,
1.49000000e-01])
Function value:   4.762657780645096e-23
Iterations:       120
Function calls:   386
Gradient calls:   386
Hessian calls:    0
Warning:          None

Traceback (most recent call last):
 File
"/home/semor/pse-4/collaborations/relax/relax-1.3/test_suite/system_tests/model_free.py",
line 394, in test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149
   self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
 File
"/home/semor/pse-4/collaborations/relax/relax-1.3/test_suite/system_tests/model_free.py",
line 1109, in value_test
   self.assertEqual(spin.f_count, f_count, msg=mesg)
AssertionError: Optimisation failure.

System: Linux
Release: 2.6.28-gentoo-r5
Version: #1 SMP Sat Apr 25 13:31:51 EDT 2009
Win32 version:
Distribution:
Architecture: 32bit ELF
Machine: i686
Processor: Intel(R) Pentium(R) M processor 1.80GHz
Python version: 2.5.4
numpy version: 1.2.1


s2:       0.9700000000000604
te:       2048.0000000114946
rex:      0.14899999999885985
chi2:     4.762657780645096e-23
iter:     120
f_count:  386
g_count:  386
h_count:  0
warning:  None
============================================
============================================

============================================
============================================
FAIL: Constrained BFGS opt, More and Thuente line search {S2=0.970,
te=2048, Rex=0.149}

Parameter values: array([  9.70000000e-01,   2.04800000e+03,
1.49000000e-01])
Function value:   1.9223825944220359e-20
Iterations:       157
Function calls:   722
Gradient calls:   164
Hessian calls:    0
Warning:          None

Traceback (most recent call last):
 File
"/home/semor/pse-4/collaborations/relax/relax-1.3/test_suite/system_tests/model_free.py",
line 337, in test_opt_constr_bfgs_back_S2_0_970_te_2048_Rex_0_149
   self.value_test(spin, select, s2, te, rex, chi2, iter, f_count,
g_count, h_count, warning)
 File
"/home/semor/pse-4/collaborations/relax/relax-1.3/test_suite/system_tests/model_free.py",
line 1105, in value_test
   self.assertAlmostEqual(spin.te / 1e-12, te, msg=mesg)
AssertionError: Optimisation failure.

System: Linux
Release: 2.6.28-gentoo-r5
Version: #1 SMP Sat Apr 25 13:31:51 EDT 2009
Win32 version:
Distribution:
Architecture: 32bit ELF
Machine: i686
Processor: Intel(R) Pentium(R) M processor 1.80GHz
Python version: 2.5.4
numpy version: 1.2.1


s2:       0.9700000000012307
te:       2048.0000002299716
rex:      0.14899999997647859
chi2:     1.9223825944220359e-20
iter:     157
f_count:  722
g_count:  164
h_count:  0
warning:  None
============================================
============================================


All dependencies are up-to-date and at the same versions (python,
scientific python, numpy, numeric, minfx).

Moreover, the system tests used to pass equally on all these machines,
so it might not be a precision issue, although this is not impossible
since the different machines have slightly different architecture...

Someone has any clue what is causing this problem..?
Could this be a bug in relax test suite ?

Cheers,


Séb

--
Sébastien Morin
PhD Student
S. Gagné NMR Laboratory
Université Laval & PROTEO
Québec, Canada


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