[PW] exe = XXXXXX/test-suite/run-pw.sh extract_program = XXXXXX/test-suite/extract-pw.x inputs_args = ('*.in', '') run_cmd_template = tc.program tc.input tc.output tc.error tolerance = ( (8.0e-4, 1.0e-4, 'e1'), (5.0e+0, 1.0e+1, 'n1'), (1.0e-3, 1.5e+0, 'f1'), (9.0e-1, 5.0e-2, 'p1'), (1.0e-2, 1.0e-2, 'ef1'), (1.0e-2, 1.0e-2, 'eh1'), (1.0e-2, 2.0e-2, 'ehl1'), (5.0e-2, None, 'band'), (1.0e-2, 1.0e-2, 'tf1'), (2.5e-3, None, 'geom') ) skip_program = grep skip_args = 'not present in this version' [CP] exe = XXXXXX/test-suite/run-cp.sh extract_program = XXXXXX/test-suite/extract-cp.x inputs_args = ('*.in', '') run_cmd_template = tc.program -input tc.input tc.args > tc.output 2> tc.error tolerance = ( (1.0e-5, 1.0e-5, 'e1'), (5.0e-4, 1.0e-4, 's1'), (1.0e-2, 1.0e-2, 'v1u'), (1.0e-2, 1.0e-2, 'v1d'), (6.0e-3, 1.0e-3, 't1') ) skip_program = grep skip_args = 'not present in this version' [PH] exe = XXXXXX/test-suite/run-ph.sh extract_program = XXXXXX/test-suite/extract-ph.x inputs_args = ('*.in', '') run_cmd_template = tc.program tc.args tc.input tc.output tc.error tolerance = ( (5.0e-5, 5.0e-3, 'e1'), (3.0e+0, 5.0e-1, 'n1'), (1.0e-3, 1.0e-5, 'f1'), (1.0e-1, 1.0e-3, 'p1'), (5.0e-2, 5.0e-3, 'diel'), (5.0e-2, 5.0e-3, 'born'), (5.0e-4, 5.0e-4, 'dos'), (1.5e-0, 5.0e-1, 'lambda'), (1.0e-1, 5.0e-3, 'lambda2'), (1.0e-6, 1.0e-6, 'qpt'), (2.0e+0, 2.0e-1, 'phfreq')) skip_program = grep skip_args = 'not present in this version' [EPW] exe = XXXXXX/test-suite/run-epw.sh extract_program = XXXXXX/test-suite/extract-epw.x inputs_args = ('*.in', '') run_cmd_template = tc.program tc.args tc.input tc.output tc.error tolerance = ( (1.0e-6, 5.0e-3, 'e1'), (4.0e+0, 5.0e-1, 'n1'), (1.0e-3, 1.0e-5, 'f1'), (1.0e-1, 5.0e-3, 'p1'), (1.0e-2, 1.0e-4, 'ef1'), (1.0e-2, 2.0e-4, 'eh1'), (1.0e-2, 2.0e-4, 'ehl1'), (1.0e-2, 1.0e-5, 'tf1'), (1.0e-4, 1.0e-5, 'qdir'), (5.0e-2, 5.0e-3, 'diel'), (5.0e-2, 5.0e-3, 'born'), (2.0e+0, 3.0e-1, 'phfreq'), (1.0e-5, 1.0e-5, 'q1'), (1.0e-5, 1.0e-5, 'dos1'), (1.0e-3, 5.0e-3, 'e2'), (1.0 , 2.0e-1, 'rsig'), # epw_base3 on desktop 0.054364 (1.5 , 5.0e-1, 'isig'), (1.0e-2, 1.0e-2, 'rpi'), # epw_base3 on desktop 0.054364 (1.0e-2, 1.0e-2, 'ipi'), (5.0e-1, 1.0e-1, 'z1'), # epw_soc on desktop (1.0e-2, None , 'lam'), # epw_base3 on desktop 7e-06 (1.0e-5, 1.0e-5, 'lambda'), (7.0e-1, None , 'lambda_tr'), #epw_trev on desktop -0.004794 (1.0e-2, None , 'gamma'), (1.1e-2, 5.0e-4, 'omega'), (1.0e-4, 2.0e-4, 'lam_tot'), (3.0e+1, 1.0e+0, 'lam_tr'), (2.0e-5, 6.0e-3, 'logavg'), (1.0e-2, 9.9e-3, 'l_a2F'), (1.0e-5, 1.0e-5, 'efm'), (8.0e-2, 1.0e-3, 'lam_max'), (5.0e-3, 1.0e-3, 'lam_kmax'), (5.0e-4, 5.0e-4, 'elph'), (2.0e-2, 5.0e-4, 'allDyn'), (2.0e-3, 5.0e-4, 'pi'), (1.0e-4, 5.0e-4, 'bcsgap'), (1.0e-4, 5.0e-4, 'mobvb'), (9.0e-4, 5.0e-4, 'mobcb'), (10.0 , 4.0e-1, 'mobx'), # Needs to be tightened up (9.0 , 1.5e-1, 'mobav'), # Needs to be tightened up (1.0e+10, 1.0e+2, 'density'), (1.0 , 1.0e-2, 'mobxZ'), (1.5e+3, None , 'indabs')) skip_program = grep skip_args = 'not present in this version' [TDDFPT] exe = XXXXXX/test-suite/run-tddfpt.sh extract_program = XXXXXX/test-suite/extract-tddfpt.x inputs_args = ('*.in', '') run_cmd_template = tc.program tc.args tc.input tc.output tc.error tolerance = ( (1.0e-6, 5.0e-3, 'e1'), (3.0e+0, 5.0e-1, 'n1'), (1.0e-3, 1.0e-5, 'f1'), (1.0e-1, 1.0e-3, 'p1'), (1.0e-5, 1.0e-4, 'alpha'), (1.0e-5, 1.0e-4, 'beta'), (1.0e-5, 1.0e-4, 'gamma'), (1.0e-5, 1.0e-4, 'average'), (1.0e-3, 1.0e-4, 'plotchi'), (1.0e-4, 1.0e-4, 'epsm1'), (1.0e-5, 5.0e-4, 'averageosc')) skip_program = grep skip_args = 'not present in this version' [user] benchmark = git date_fmt = %d%m%y diff = vimdiff