Mon Nov 24 10:32:25 2003 Windows 2000 Visual C++ 7.1: Microsoft (R) 32-bit C/C++ Optimizing Compiler Version 13.10.3077 for 80x86 2.2.2 (#37, Oct 14 2002, 17:02:34) [MSC 32 bit (Intel)] C:\auto_build\cctbx\cctbx_build>call python c:\auto_build\cctbx\cctbx_sources\scitbx\run_tests.py C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_1 Total OK: 435 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_2 Total OK: 268 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_3 Total OK: 164 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_4 Total OK: 0 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_af_5 Total OK: 23 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_vec3 Total OK: 56 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_mat3 Total OK: 81 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_sym_mat3 Total OK: 65 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_mat_ref Total OK: 60 C:\auto_build\cctbx\cctbx_build\scitbx\array_family\tst_accessors Total OK: 1119 libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\array_family\boost_python\regression_test.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\array_family\boost_python\tst_flex.py Testing compatibility with Numeric slicing... OK OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\boost_python\tst_rational.py OK C:\auto_build\cctbx\cctbx_build\scitbx\serialization\tst_base_256 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\scitbx\python_utils\math_utils.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\math\boost_python\tst_eigensystem.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\lbfgs\boost_python\tst_lbfgs.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\scitbx\fftpack\boost_python\tst_fftpack.py u+s,u,s: 4.34 0.19 4.16 C:\auto_build\cctbx\cctbx_build>call python c:\auto_build\cctbx\cctbx_sources\cctbx\run_tests.py --Quick libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\math\boost_python\tst_math.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\array_family\boost_python\tst_flex.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\uctbx\boost_python\tst_uctbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\sgtbx\boost_python\tst_sgtbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\adptbx\boost_python\tst_adptbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\miller\boost_python\tst_miller.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_caasf.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_henke.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_icsd_radii.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_neutron.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_sasaki.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_tiny_pse.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\eltbx\boost_python\tst_wavelengths.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\xray\boost_python\tst_xray.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\maptbx\boost_python\tst_maptbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\mintbx\boost_python\tst_mintbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\dmtbx\boost_python\tst_dmtbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\translation_search\boost_python\tst_translation_search.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\matrix.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_krivy_gruber.py --Quick OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx_denominators.py P31 P 31 u+s,u,s: 0.42 0.30 0.13 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx_subgroups.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx_lattice_symmetry.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sgtbx_harker.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\sgtbx\symbol_confidence.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\sgtbx\bravais_types.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_crystal.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray.py I41/acd I 41/a c d :2 u+s,u,s: 1.92 0.56 1.36 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_miller.py P31 P 31 u+s,u,s: 2.00 0.48 1.52 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_reciprocal_space_asu.py P312 P 3 1 2 u+s,u,s: 0.86 0.28 0.58 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_triplet_generator.py P41 P 41 u+s,u,s: 0.78 0.48 0.30 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_emma.py P31 P 31 u+s,u,s: 4.20 0.48 3.72 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_find_centre_of_inversion.py P31 P 31 u+s,u,s: 0.84 0.39 0.45 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_expand_to_p1.py P31 P 31 u+s,u,s: 0.67 0.48 0.19 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_change_basis.py P31 P 31 u+s,u,s: 0.63 0.42 0.20 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_wilson_plot.py P31 P 31 u+s,u,s: 0.98 0.38 0.61 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray_derivatives.py P31 P 31 u+s,u,s: 1.22 0.48 0.73 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray_fast_gradients.py P31 P 31 u+s,u,s: 3.50 0.47 3.03 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_xray_minimization.py P31 P 31 u+s,u,s: 1.19 0.41 0.78 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_maptbx_structure_factors.py P31 P 31 u+s,u,s: 0.95 0.48 0.47 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_k_b_scaling.py P31 P 31 u+s,u,s: 2.14 0.36 1.78 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_miller_merge_equivalents.py P31 P 31 u+s,u,s: 0.70 0.41 0.30 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_miller_fft_map.py P31 P 31 u+s,u,s: 2.70 0.45 2.25 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_sampled_model_density.py P31 P 31 u+s,u,s: 1.89 0.47 1.42 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\regression\tst_fast_nv1995.py F222 F 2 2 2 u+s,u,s: 12.25 0.48 11.77 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\tst_cns_epsilon.py P31 CNS not available. libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\tst_cns_hl.py P31 CNS not available. libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\development\run_shelx.py P31 SHELX not available. C:\auto_build\cctbx\cctbx_build>call python c:\auto_build\cctbx\cctbx_sources\cctbx\run_examples.py --Quick C:\auto_build\cctbx\cctbx_build\cctbx\examples\getting_started unit cell: (11,12,13,90,100,90) space group: C 1 2 1 symmetry operations: x,y,z -x,y,-z x+1/2,y+1/2,z -x+1/2,y+1/2,-z libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\getting_started.py Unit cell: (11, 12, 13, 90, 100, 90) Space group: C 1 2 1 (No. 5) x,y,z -x,y,-z x+1/2,y+1/2,z -x+1/2,y+1/2,-z libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\analyze_adp.py Input Ucif: (0.17000000000000001, 0.17000000000000001, 0.19, 0.089999999999999997, 0, 0) Warning: ADP tensor is incompatible with site symmetry. Averaged Ucif: (0.16666666666666669, 0.16666666666666669, 0.18999999999999995, 0.083333333333333343, 0.0, 0.0) Eigenvectors and values: v=(0.00000 0.00000 1.00000) lambda=0.1900 v=(-1.00000 0.00000 0.00000) lambda=0.1667 v=(0.00000 1.00000 -0.00000) lambda=0.1667 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\all_axes.py P31 Space group: P 31 (No. 144) Rotation type, Axis direction, Intrinsic part, Origin shift ('1', '-', '-', '-') ('3', '[0,0,1]', '(0,0,1/3)', '(0,0,0)') ('3', '[0,0,1]', '(0,0,1/3)', '(1/3,2/3,0)') ('3', '[0,0,1]', '(0,0,1/3)', '(2/3,1/3,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(0,0,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(1/3,2/3,0)') ('3', '[0,0,1]', '(0,0,2/3)', '(2/3,1/3,0)') libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\tst_phase_o_phrenia.py P2 P 1 2 1 Number of scatterers: 1 At special positions: 0 Unit cell: (7.82191, 10.1685, 13.2972, 90, 109, 90) Space group: P 1 2 1 (No. 3) Label M Coordinates Occ Uiso or Ucart Hg1 2 0.0169 0.8953 0.1115 1.00 0.0000 1.00569 0.00000 0.79193 0.00000 0.0575178 0.50000 0.79308 0.00000 0.0438529 0.00000 0.28978 0.00000 0.0408975 0.44013 0.00492 0.30641 0.039102 0.44467 0.57504 0.30547 0.0276275 0.50000 0.29359 0.50000 0.0271788 0.00000 0.65455 0.50000 0.0229094 -0.00511 0.29156 0.30762 0.0217554 0.00000 0.10943 0.50000 0.019006 0.50000 0.20000 1.00000 u+s,u,s: 0.67 0.45 0.22 libtbx.python c:\auto_build\cctbx\cctbx_sources\cctbx\cctbx\examples\map_skewness.py Number of scatterers: 20 At special positions: 0 Unit cell: (13.5341, 17.5943, 23.0079, 83, 109, 129) Space group: P 1 (No. 1) Miller array info: None Observation type: None Type of data: complex_double, size=312 Type of sigmas: None Number of Miller indices: 312 Anomalous flag: 0 Unit cell: (13.5341, 17.5943, 23.0079, 83, 109, 129) Space group: P 1 (No. 1) fudge factor, phase difference, map skewness: 0.00, 0.00, 2.892 fudge factor, phase difference, map skewness: 0.10, 8.77, 2.766 fudge factor, phase difference, map skewness: 0.20, 16.99, 2.419 fudge factor, phase difference, map skewness: 0.30, 27.23, 1.898 fudge factor, phase difference, map skewness: 0.40, 35.00, 1.412 fudge factor, phase difference, map skewness: 0.50, 43.67, 0.6781 fudge factor, phase difference, map skewness: 0.60, 51.42, 0.4163 fudge factor, phase difference, map skewness: 0.70, 61.44, 0.4091 fudge factor, phase difference, map skewness: 0.80, 70.38, 0.06138 fudge factor, phase difference, map skewness: 0.90, 79.10, -0.1014 fudge factor, phase difference, map skewness: 1.00, 86.55, -0.03249 Number of scatterers: 20 At special positions: 0 Unit cell: (19.71, 25.623, 33.5069, 90, 109, 90) Space group: C 1 2 1 (No. 5) Miller array info: None Observation type: None Type of data: complex_double, size=338 Type of sigmas: None Number of Miller indices: 338 Anomalous flag: 0 Unit cell: (19.71, 25.623, 33.5069, 90, 109, 90) Space group: C 1 2 1 (No. 5) fudge factor, phase difference, map skewness: 0.00, 0.00, 2.655 fudge factor, phase difference, map skewness: 0.10, 8.88, 2.449 fudge factor, phase difference, map skewness: 0.20, 16.60, 2.192 fudge factor, phase difference, map skewness: 0.30, 27.35, 1.591 fudge factor, phase difference, map skewness: 0.40, 36.11, 1.041 fudge factor, phase difference, map skewness: 0.50, 45.09, 0.6387 fudge factor, phase difference, map skewness: 0.60, 57.17, 0.3697 fudge factor, phase difference, map skewness: 0.70, 61.31, 0.03121 fudge factor, phase difference, map skewness: 0.80, 72.46, 0.01363 fudge factor, phase difference, map skewness: 0.90, 77.92, 0.08299 fudge factor, phase difference, map skewness: 1.00, 90.39, -0.08588 Number of scatterers: 20 At special positions: 0 Unit cell: (19.3453, 25.1489, 32.887, 90, 90, 90) Space group: P 21 21 21 (No. 19) Miller array info: None Observation type: None Type of data: complex_double, size=390 Type of sigmas: None Number of Miller indices: 390 Anomalous flag: 0 Unit cell: (19.3453, 25.1489, 32.887, 90, 90, 90) Space group: P 21 21 21 (No. 19) fudge factor, phase difference, map skewness: 0.00, 0.00, 2.476 fudge factor, phase difference, map skewness: 0.10, 14.11, 1.835 fudge factor, phase difference, map skewness: 0.20, 18.80, 1.86 fudge factor, phase difference, map skewness: 0.30, 28.78, 1.135 fudge factor, phase difference, map skewness: 0.40, 34.73, 1.057 fudge factor, phase difference, map skewness: 0.50, 40.87, 0.6163 fudge factor, phase difference, map skewness: 0.60, 58.16, 0.2481 fudge factor, phase difference, map skewness: 0.70, 61.18, 0.1076 fudge factor, phase difference, map skewness: 0.80, 77.27, -0.04629 fudge factor, phase difference, map skewness: 0.90, 79.94, -0.02039 fudge factor, phase difference, map skewness: 1.00, 99.77, -0.1397 Number of scatterers: 20 At special positions: 0 Unit cell: (36.5694, 36.5694, 62.168, 90, 90, 120) Space group: R 3 2 :H (No. 155) Miller array info: None Observation type: None Type of data: complex_double, size=371 Type of sigmas: None Number of Miller indices: 371 Anomalous flag: 0 Unit cell: (36.5694, 36.5694, 62.168, 90, 90, 120) Space group: R 3 2 :H (No. 155) fudge factor, phase difference, map skewness: 0.00, 0.00, 2.478 fudge factor, phase difference, map skewness: 0.10, 6.80, 2.373 fudge factor, phase difference, map skewness: 0.20, 16.36, 1.93 fudge factor, phase difference, map skewness: 0.30, 25.69, 1.474 fudge factor, phase difference, map skewness: 0.40, 37.98, 0.9121 fudge factor, phase difference, map skewness: 0.50, 44.57, 0.5748 fudge factor, phase difference, map skewness: 0.60, 60.18, 0.1505 fudge factor, phase difference, map skewness: 0.70, 59.93, 0.1576 fudge factor, phase difference, map skewness: 0.80, 74.79, 0.09696 fudge factor, phase difference, map skewness: 0.90, 85.72, 0.07099 fudge factor, phase difference, map skewness: 1.00, 88.66, -0.1746 Number of scatterers: 20 At special positions: 2 Unit cell: (72.6848, 72.6848, 72.6848, 90, 90, 90) Space group: F 4 3 2 (No. 209) Miller array info: None Observation type: None Type of data: complex_double, size=434 Type of sigmas: None Number of Miller indices: 434 Anomalous flag: 0 Unit cell: (72.6848, 72.6848, 72.6848, 90, 90, 90) Space group: F 4 3 2 (No. 209) fudge factor, phase difference, map skewness: 0.00, 0.00, 2.662 fudge factor, phase difference, map skewness: 0.10, 8.72, 2.266 fudge factor, phase difference, map skewness: 0.20, 15.95, 2.038 fudge factor, phase difference, map skewness: 0.30, 24.52, 1.455 fudge factor, phase difference, map skewness: 0.40, 36.14, 1.168 fudge factor, phase difference, map skewness: 0.50, 44.71, 0.4647 fudge factor, phase difference, map skewness: 0.60, 59.29, 0.1593 fudge factor, phase difference, map skewness: 0.70, 64.24, 0.0414 fudge factor, phase difference, map skewness: 0.80, 69.70, -0.06613 fudge factor, phase difference, map skewness: 0.90, 76.93, -0.03969 fudge factor, phase difference, map skewness: 1.00, 92.18, 0.05422 C:\auto_build\cctbx\cctbx_build>call python c:\auto_build\cctbx\cctbx_sources\iotbx\run_tests.py libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\kriber\tst_strudat.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\pdb\tst_pdb.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\cns\space_group_symbols.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\cns\tst_cns.py OK libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\mtz\tst_mtz.py P 1 P -1 P 1 2 1 C 1 2/c 1 P 2 2 2 I m m a P 4 P 41 I 41/a c d :2 P 3 P 31 P 3 1 m R -3 c :H P 6 P 63/m m c P 2 3 I a -3 d Hall: -I 4 2c (1/2*x+1/2*y+1/12,-1/2*x+1/2*y-1/12,z-1/4) u+s,u,s: 8.05 2.16 5.89 libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\detectors\tst_adsc.py Completed test read of ADSC image: image size 2304 x 2304 = 5308416 pixels pixel size 0.0816 saturated value 65535 starting phi 0.0 OK libtbx.python c:\auto_build\cctbx\cctbx_sources\iotbx\iotbx\xplor\tst_xplormap.py OK C:\auto_build\cctbx\cctbx_build>call python u:\auto_build\cctbx\commands\show_date.py Mon Nov 24 10:34:24 2003