mirror of https://gitlab.com/QEF/q-e.git
117 lines
4.1 KiB
Plaintext
117 lines
4.1 KiB
Plaintext
[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, 5.0e-2, 'el1'),
|
|
(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'),
|
|
(9.0e-2, 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'),
|
|
(3.0e+0, 5.0e-1, 'n1'),
|
|
(1.0e-3, 1.0e-5, 'f1'),
|
|
(1.0e-1, 1.0e-3, 'p1'),
|
|
(1.0e-2, 1.0e-5, 'ef1'),
|
|
(1.0e-2, 1.0e-5, 'eh1'),
|
|
(1.0e-2, 1.0e-5, 'el1'),
|
|
(1.0e-2, 1.0e-5, 'tf1'),
|
|
(5.0e-2, 5.0e-3, 'diel'),
|
|
(5.0e-2, 5.0e-3, 'born'),
|
|
(2.0e+0, 6.0e-2, 'phfreq'),
|
|
(1.0e-5, 1.0e-5, 'q1'),
|
|
(1.0e-5, 1.0e-5, 'dos1'),
|
|
(1.0e-3, 5.0e-3, 'e2'),
|
|
(1.0 , 1.5e-1, 'rsig'), # epw_base3 on desktop 0.054364
|
|
(1.5 , 5.0e-1, 'isig'),
|
|
(5.0e-1, 1.0e-1, 'z1'), # epw_soc on desktop
|
|
(1.0e-2, 5.0e-1, 'lam'), # epw_base3 on desktop 7e-06
|
|
(1.0e-5, 1.0e-5, 'lambda'),
|
|
(6.0e-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'),
|
|
(1.0e-5, 2.0e-3, 'logavg'),
|
|
(1.0e-2, 9.9e-3, 'l_a2F'),
|
|
(1.0e-5, 1.0e-5, 'efm'),
|
|
(5.0e-4, 1.0e-4, 'lam_max'),
|
|
(5.0e-4, 5.0e-4, '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'))
|
|
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 = SVN
|
|
date_fmt = %d%m%y
|
|
diff = vimdiff
|
|
|