Author: bugman Date: Wed Aug 14 16:14:08 2013 New Revision: 20589 URL: http://svn.gna.org/viewcvs/relax?rev=20589&view=rev Log: Merged revisions 20587-20588 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r20587 | bugman | 2013-08-14 15:49:57 +0200 (Wed, 14 Aug 2013) | 5 lines Fixes for the Palmer.test_palmer_omp system test for Modelfree4 version 4.20 gcc. The gcc and pgf results were somehow switched! ........ r20588 | bugman | 2013-08-14 16:11:51 +0200 (Wed, 14 Aug 2013) | 6 lines Another fix for the Palmer.test_palmer_omp system test for Modelfree4. The gcc and pgf compiled i386 Linux binaries of Modelfree4 version 4.20 actually give identical results. Therefore the checks have been merged. ........ Modified: branches/peak_intensities/ (props changed) branches/peak_intensities/test_suite/system_tests/palmer.py Propchange: branches/peak_intensities/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Wed Aug 14 16:14:08 2013 @@ -1,1 +1,1 @@ -/trunk:1-20584 +/trunk:1-20588 Modified: branches/peak_intensities/test_suite/system_tests/palmer.py URL: http://svn.gna.org/viewcvs/relax/branches/peak_intensities/test_suite/system_tests/palmer.py?rev=20589&r1=20588&r2=20589&view=diff ============================================================================== --- branches/peak_intensities/test_suite/system_tests/palmer.py (original) +++ branches/peak_intensities/test_suite/system_tests/palmer.py Wed Aug 14 16:14:08 2013 @@ -74,25 +74,13 @@ # Execute the script. self.script_exec(status.install_path + sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'palmer.py') - # Determine if the Gnu gcc or Portland C compiler version is being used. - spin = return_spin(':0@N', pipe='m2') - if spin.te == 1.951*1e-12: - compiler = 'gcc' # Gnu gcc modelfree4 version. - else: - compiler = 'pgf' # Portland C compiler modelfree4 version. - # Checks for model m1, m2, and m3 mfout file reading. models = ['m1', 'm2', 'm3'] params = [['s2'], ['s2', 'te'], ['s2', 'rex']] spin_names = [':-2@N', ':-1@N', ':0@N'] - if compiler == 'gcc': - s2 = [[0.869, 0.732, None], [0.869, 0.730, None], [0.715, 0.643, None]] - te = [[None, None, None], [0.0, 1.951, None], [None, None, None]] # Gnu gcc modelfree4 version. - rex = [[None, None, None], [None, None, None], [4.308, 4.278, None]] - else: - s2 = [[0.869, 0.732, None], [0.869, 0.730, None], [0.715, 0.643, None]] - te = [[None, None, None], [0.0, 1.952, None], [None, None, None]] # Portland C compiler modelfree4 version. - rex = [[None, None, None], [None, None, None], [4.308, 4.278, None]] + s2 = [[0.869, 0.732, None], [0.869, 0.730, None], [0.715, 0.643, None]] + te = [[None, None, None], [0.0, 1.952, None], [None, None, None]] + rex = [[None, None, None], [None, None, None], [4.308, 4.278, None]] chi2 = [[36.6223, 20.3954, None], [36.6223, 20.3299, None], [1.9763, 0.6307, None]] for model_index in range(3): print("Model " + repr(models[model_index])) @@ -179,21 +167,12 @@ if spin.s2 == 0.855: raise RelaxError("You are using an old, buggy Modelfree4 version! You must upgrade to version 4.20 or later.") - # Determine if the Gnu gcc or Portland C compiler version is being used. - if spin.te == 20.043*1e-12: - compiler = 'gcc' # Gnu gcc modelfree4 version. - else: - compiler = 'pgf' # Portland C compiler modelfree4 version. - # Model m1, m2, and m3 mfout file data. models = ['m1', 'm2', 'm3'] params = [['s2'], ['s2', 'te'], ['s2', 'rex']] spin_names = [':9@N', ':10@N', ':11@N'] s2 = [[0.822, 0.799, 0.823], [0.788, 0.777, 0.812], [0.822, 0.799, 0.823]] - if compiler == 'gcc': - te = [[None, None, None], [61.506, 36.084, 20.043], [None, None, None]] - else: - te = [[None, None, None], [61.506, 36.087, 20.039], [None, None, None]] + te = [[None, None, None], [61.506, 36.087, 20.039], [None, None, None]] rex = [[None, None, None], [None, None, None], [0.0, 0.0, 0.0]] chi2 = [[143.6773, 105.1767, 61.6684], [40.9055, 57.1562, 48.4927], [143.6773, 105.1767, 61.6684]] @@ -227,14 +206,9 @@ # Final mfout file data. models = ['m2', 'm2', 'm2'] params = [['s2', 'te'], ['s2', 'te'], ['s2', 'te']] - if compiler == 'gcc': - s2 = [0.782, 0.760, 0.785] - te = [60.009, 29.134, 12.590] - chi2 = [24.0495, 8.1168, 0.5332] - else: - s2 = [0.755, 0.761, 0.787] - te = [52.197, 29.361, 12.677] - chi2 = [7.254, 8.0437, 0.5327] + s2 = [0.755, 0.761, 0.787] + te = [52.197, 29.361, 12.677] + chi2 = [7.254, 8.0437, 0.5327] # Checks for the final mfout file reading. for spin_index in range(3): @@ -259,15 +233,8 @@ # Final global values. final_pipe = pipes.get_pipe('aic') - if compiler == 'gcc': - self.assertEqual(final_pipe.chi2, 32.6995) - self.assertEqual(final_pipe.diff_tensor.tm, 8.964) - self.assertEqual(final_pipe.diff_tensor.Dratio, 1.324) - self.assertEqual(final_pipe.diff_tensor.theta, (-52.070 / 360.0) * 2.0 * pi + pi) - self.assertEqual(final_pipe.diff_tensor.phi, (2.377 / 360.0) * 2.0 * pi) - else: - self.assertEqual(final_pipe.chi2, 15.8304) - self.assertEqual(final_pipe.diff_tensor.tm, 8.443) - self.assertEqual(final_pipe.diff_tensor.Dratio, 1.053) - self.assertEqual(final_pipe.diff_tensor.theta, (68.864 / 360.0) * 2.0 * pi) - self.assertEqual(final_pipe.diff_tensor.phi, (73.913 / 360.0) * 2.0 * pi) + self.assertEqual(final_pipe.chi2, 15.8304) + self.assertEqual(final_pipe.diff_tensor.tm, 8.443) + self.assertEqual(final_pipe.diff_tensor.Dratio, 1.053) + self.assertAlmostEqual(final_pipe.diff_tensor.theta, (68.592 / 360.0) * 2.0 * pi) + self.assertAlmostEqual(final_pipe.diff_tensor.phi, (73.756 / 360.0) * 2.0 * pi)