| Test suite program
| SGI 600 MHz
R14000 IP35
(nimbus.nih.gov)
| 1.8 GHz Athlon
(Biowulf cluster)
| 2.8 GHz Xeon
(Biowulf cluster)
| 2.2 GHz Opteron
(Biowulf cluster)
|
|
| in seconds
|
| general/alternate.inp | 0.4 | 0.1 | 0.1 | 0.0
|
| general/bfactor_plot.inp | 0.4 | 0.4 | 0.3 | 0.3
|
| general/buried_surface.inp | 5.6 | 4.9 | 4.4 | 3.9
|
| general/cis_peptide.inp | 30.2 | 64.7 | 55.6 | 51.5
|
| general/cns_to_o.inp | 0.9 | 0.7 | 0.7 | 0.6
|
| general/contact.inp | 109.0 | 219.6 | 189.4 | 175.9
|
| general/delete_atoms.inp | 0.3 | 0.1 | 0.1 | 0.01
|
| general/delta_phipsi.inp | 2.7 | 4.9 | 4.0 | 3.7
|
| general/difference_distance.inp | 24.1 | 27.0 | 22.2 | 20.3
|
| general/fractional_transform.inp | 0.7 | 0.7 | 0.6 | 0.5
|
| general/generate.inp | 2.5 | 3.9 | 3.3 | 3.0
|
| general/generate_easy.inp | 42.6 | 84.3 | 71.3 | 66.0
|
| general/generate_seq.inp | 1.0 | 0.9 | 0.8 | 0.7
|
| general/get_ncs_matrices.inp | 0.5 | 0.4 | 0.3 | 0.3
|
| general/hydrogen_bonds.inp | 20.2 | 39.2 | 33.1 | 31.0
|
| general/merge_structures.inp | 1.4 | 1.4 | 1.1 | 1.0
|
| general/model_anneal.inp | 38.0 | 29.5 | 24.2 | 23.3
|
| general/model_mask.inp | 1.0 | 0.8 | 0.8 | 0.7
|
| general/model_minimize.inp | 8.4 | 6.6 | 5.4 | 5.0
|
| general/model_rigid.inp | 2.0 | 1.8 | 1.4 | 1.3
|
| general/molecule_extent.inp | 0.7 | 1.1 | 0.9 | 0.8
|
| general/mtf_to_psf.inp | 0.1 | 0.0 | 0.0 | 0.0
|
| general/neighbours.inp | 10.8 | 20.1 | 17.5 | 16.1
|
| general/psf_to_mtf.inp | 0.3 | 0.1 | 0.0 | 0.0
|
| general/ramachandran.inp | 2.3 | 4.5 | 3.7 | 3.4
|
| general/realspace_transform.inp | 1.3 | 1.1 | 1.0 | 0.8
|
| general/rename_segid.inp | 2.1 | 0.7 | 0.6 | 0.5
|
| general/rms_fit.inp | 0.1 | 0.1 | 0.0 | 0.0
|
| general/rmsd.inp | 0.5 | 0.5 | 0.4 | 0.3
|
| general/shift_molecules.inp | 93.4 | 162.0 | 139.7 | 128.9
|
| general/split_structure.inp | 7.1 | 2.8 | 2.4 | 2.0
|
| general/surface_plot.inp | 0.7 | 0.8 | 0.6 | 0.5
|
| nmr_calc/accept.inp | 530.5 | 275.6 | 381.7 | 265.3
|
| nmr_calc/anneal.inp | 3539.4 | 2563.7 | 2216.4 | 1679.5
|
| nmr_calc/anneal_cv.inp | 9766.9 | 7117.1 | 5429.7 | 4662.6
|
| nmr_calc/dg_sa.inp | 1578.8 | 1259.0 | 947.5 | 780.5
|
| nmr_calc/ensemble.inp | 1243.7 | 917.6 | 818.8 | 578.5
|
| nmr_calc/ensemble_cv.inp | 3673.3 | 2783.8 | 2475.1 | 1741.1
|
| nmr_calc/generate_extended.inp | 112.4 | 37.6 | 49.3 | 25.3
|
| nmr_calc/pmrefine.inp | 843.1 | 770.0 | 809.2 |
|
| nmr_calc/rmsd_pm.inp | 8.2 | 12.2 | 10.6 | 9.7
|
| xtal_mr/cross_rotation.inp | 1606.4 | 1434.2 | 1643.0 | 926.7
|
| xtal_mr/self_rotation.inp | 59.9 | 67.2 | 50.6 | 30.9
|
| xtal_mr/translation.inp | 219.6 | 219.9 | 234.6 | 156.8
|
| xtal_patterson/heavy_search.inp | 395.7 | 283.6 | 364.3 | 206.6
|
| xtal_patterson/patterson_map.inp | 16.9 | 18.7 | 16.7 | 14.6
|
| xtal_patterson/patterson_refine.inp | 21.9 | 20.7 | 20.6 | 16.0
|
| xtal_patterson/predict_patterson.inp | 1.7 | 1.7 | 1.6 | 1.3
|
| xtal_phase/cns_to_sdb.inp | 0.1 | 0.0 | 0.0 | 0.0
|
| xtal_phase/delete_sites.inp | 0.1 | 0.1 | 0.1 | 0.1
|
| xtal_phase/density_modify.inp | 34.3 | 29.6 | 26.8 | 21.6
|
| xtal_phase/flip_sites.inp | 0.7 | 0.8 | 0.7 | 0.6
|
| xtal_phase/generate_sdb.inp | 0.1 | 0.1 | 0.1 | 0.1
|
| xtal_phase/ir_phase.inp | 95.4 | 68.2 | 81.8 | 51.6
|
| xtal_phase/mad_bijvoet_ave.inp | 15.5 | 16.7 | 15.0 | 13.4
|
| xtal_phase/mad_phase.inp | 2176.0 | 1305.0 | 1814.2 | 945.8
|
| xtal_phase/optimize_ncsop.inp | 376.3 | 243.6 | 176.0 | 187.0
|
| xtal_phase/pdb_to_sdb.inp | 0.1 | 0.1 | 0.1 | 0.0
|
| xtal_phase/sdb_manipulate.inp | 0.5 | 0.6 | 0.5 | 0.4
|
| xtal_phase/sdb_split.inp | 0.4 | 0.5 | 0.3 | 0.3
|
| xtal_phase/sdb_to_pdb.inp | 0.2 | 0.2 | 0.2 | 0.1
|
| xtal_phase/sdb_to_sdb.inp | 0.2 | 0.2 | 0.2 | 0.2
|
| xtal_phase/shift_sites.inp | 3.5 | 4.0 | 3.5 | 3.0
|
| xtal_phase/solvent_mask.inp | 7.0 | 5.6 | 4.8 | 4.3
|
| xtal_refine/anneal.inp | 175.1 | 155.3 | 160.1 | 103.7
|
| xtal_refine/bdomain.inp | 11.5 | 8.6 | 9.9 | 5.9
|
| xtal_refine/bgroup.inp | 11.2 | 9.3 | 10.7 | 6.5
|
| xtal_refine/bindividual.inp | 10.9 | 9.2 | 10.5 | 6.4
|
| xtal_refine/composite_omit_map.inp | 1500.9 | 1423.7 | 1430.4 | 935.6
|
| xtal_refine/fo-fo_map.inp | 5.7 | 5.2 | 4.8 | 4.1
|
| xtal_refine/fp_fdp_group.inp | 4.7 | 3.8 | 4.1 | 2.7
|
| xtal_refine/map_cover.inp | 2.6 | 2.6 | 2.3 | 2.0
|
| xtal_refine/minimize.inp | 68.5 | 49.1 | 58.8 | 33.4
|
| xtal_refine/model_map.inp | 4.5 | 4.0 | 3.4 | 2.8
|
| xtal_refine/model_stats.inp | 18.4 | 24.3 | 21.9 | 19.0
|
| xtal_refine/ncs_average_map.inp | 243.7 | 218.7 | 199.0 | 3.6
|
| xtal_refine/optimize_average.inp | 2.0 | 2.0 | 1.7 | 1.5
|
| xtal_refine/optimize_rweight.inp | 42.2 | 34.4 | 41.0 | 23.6
|
| xtal_refine/optimize_wa.inp | 634.0 | 552.4 | 594.9 | 373.5
|
| xtal_refine/qgroup.inp | 4.4 | 3.9 | 4.1 | 2.8
|
| xtal_refine/qindividual.inp | 10.4 | 8.7 | 10.0 | 6.0
|
| xtal_refine/refine.inp | 57.8 | 50.4 | 46.3 | 34.6
|
| xtal_refine/rigid.inp | 7.9 | 6.9 | 7.8 | 4.9
|
| xtal_refine/sa_omit_map.inp | 48.9 | 44.3 | 43.7 | 29.4
|
| xtal_refine/shift_solvent.inp | 11.3 | 13.2 | 11.0 | 0.0
|
| xtal_refine/water_delete.inp | 5.3 | 4.5 | 4.0 | 0.0
|
| xtal_refine/water_pick.inp | 44.8 | 37.0 | 43.1 | 25.6
|
| xtal_twin/anneal_twin.inp | 2784.6 | 2855.5 | 2414.2 | 1302.9
|
| xtal_twin/bdomain_twin.inp | 134.7 | 130.8 | 112.1 | 61.8
|
| xtal_twin/bgroup_twin.inp | 133.1 | 133.6 | 116.9 | 63.9
|
| xtal_twin/bindividual_twin.inp | 133.3 | 136.0 | 117.6 | 64.6
|
| xtal_twin/detect_twinning.inp | 9.9 | 6.8 | 5.8 | 5.0
|
| xtal_twin/detwin_partial.inp | 9.3 | 6.3 | 5.6 | 5.0
|
| xtal_twin/detwin_perfect.inp | 19.6 | 16.5 | 14.0 | 10.4
|
| xtal_twin/make_cv_twin.inp | 4.3 | 3.8 | 3.4 | 2.9
|
| xtal_twin/minimize_twin.inp | 793.5 | 822.9 | 703.3 | 378.3
|
| xtal_twin/model_map_twin.inp | 58.1 | 41.1 | 32.8 | 25.6
|
| xtal_twin/model_stats_twin.inp | 105.6 | 134.6 | 119.0 | 99.9
|
| xtal_twin/rigid_twin.inp | 95.5 | 97.1 | 84.2 | 47.1
|
| xtal_twin/twin_fraction.inp | 18.0 | 13.9 | 12.0 | 8.4
|
| xtal_twin/water_pick_twin.inp | 596.7 | 580.4 | 483.3 | 293.6
|
| xtal_util/analyse.inp | 50.2 | 40.9 | 35.0 | 0.4
|
| xtal_util/average_friedels.inp | 12.4 | 12.9 | 11.7 | 10.3
|
| xtal_util/average_map.inp | 9.3 | 6.7 | 5.1 | 0.7
|
| xtal_util/combine.inp | 5.4 | 5.8 | 5.2 | 4.6
|
| xtal_util/flip_friedels.inp | 17.1 | 17.3 | 15.5 | 13.9
|
| xtal_util/fourier_map.inp | 28.3 | 30.9 | 27.9 | 24.3
|
| xtal_util/hlcoeff_blur.inp | 2.1 | 2.1 | 2.0 | 1.7
|
| xtal_util/make_cv.inp | 1.3 | 1.3 | 1.2 | 1.0
|
| xtal_util/make_hlcoeff.inp | 2.1 | 2.1 | 2.0 | 1.7
|
| xtal_util/manipulate.inp | 13.3 | 13.3 | 11.9 | 10.6
|
| xtal_util/mask_map.inp | 3.5 | 2.8 | 2.3 | 0.7
|
| xtal_util/matthews_coef.inp | 0.5 | 0.5 | 0.5 | 0.4
|
| xtal_util/merge.inp | 22.3 | 21.6 | 19.2 | 17.1
|
| xtal_util/model_fcalc.inp | 1.0 | 0.9 | 0.8 | 0.7
|
| xtal_util/model_phase.inp | 2.5 | 2.3 | 2.0 | 1.6
|
| xtal_util/scale.inp | 25.1 | 21.9 | 21.0 | 17.5
|
| xtal_util/transform_map.inp | 5.7 | 4.0 | 3.0 | 3.0
|