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:
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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
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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
System tests