Convert from seconds to minutes

parent af3d48af
Pipeline #21014480 passed with stage
in 2 minutes and 37 seconds
......@@ -2,5 +2,5 @@ from myqueue.job import Job
def workflow():
jobs = [Job('g2_dzp.py+{}@4x13m'.format(i)) for i in range(10)]
jobs = [Job('g2_dzp.py+{}@4x13h'.format(i)) for i in range(10)]
return jobs + [Job('g2_dzp_csv.py', deps=jobs)]
......@@ -3,5 +3,5 @@ from myqueue.job import Job
def workflow():
return [
Job('calculate.py@1x1m'),
Job('calculate.py@1x1h'),
Job('plot.py', deps=['calculate.py'])]
......@@ -3,5 +3,5 @@ from myqueue.job import Job
def workflow():
return [
Job('calculate.py@1x1m'),
Job('calculate.py@1x1h'),
Job('plot.py', deps=['calculate.py'])]
......@@ -3,6 +3,6 @@ from myqueue.job import Job
def workflow():
return [
Job('basisgeneration.py@1x10s'),
Job('lcao_h2o.py@1x10s'),
Job('lcao_opt.py@1x10s')]
Job('basisgeneration.py@1x10m'),
Job('lcao_h2o.py@1x10m'),
Job('lcao_opt.py@1x10m')]
......@@ -3,13 +3,13 @@ from myqueue.job import Job
def workflow():
return [
Job('timepropagation_calculate.py@8x1m'),
Job('timepropagation_continue.py@8x1m',
Job('timepropagation_calculate.py@8x1h'),
Job('timepropagation_continue.py@8x1h',
deps=['timepropagation_calculate.py']),
Job('timepropagation_postprocess.py@8x5s',
Job('timepropagation_postprocess.py@8x5m',
deps=['timepropagation_continue.py']),
Job('timepropagation_plot.py@1x5s',
Job('timepropagation_plot.py@1x5m',
deps=['timepropagation_postprocess.py']),
Job('casida_calculate.py@8x1m'),
Job('casida_postprocess.py@8x5s', deps=['casida_calculate.py']),
Job('casida_plot.py@1x5s', deps=['casida_postprocess.py'])]
Job('casida_calculate.py@8x1h'),
Job('casida_postprocess.py@8x5m', deps=['casida_calculate.py']),
Job('casida_plot.py@1x5m', deps=['casida_postprocess.py'])]
......@@ -3,7 +3,7 @@ from myqueue.job import Job
def workflow():
return [
Job('lcaotddft_basis.py@1x10s'),
Job('lcaotddft_ag55.py@48x1m', deps=['lcaotddft_basis.py']),
Job('lcaotddft_basis.py@1x10m'),
Job('lcaotddft_ag55.py@48x2h', deps=['lcaotddft_basis.py']),
Job('lcaotddft_fig1.py', deps=['lcaotddft_ag55.py']),
Job('lcaotddft.py@4x40s')]
Job('lcaotddft.py@4x40m')]
......@@ -3,31 +3,15 @@ from myqueue.job import Job
def workflow():
return [
Job('gs.py@8x10s'),
Job('td.py@8x30s', deps=['gs.py']),
Job('tdc.py@8x30s', deps=['td.py']),
Job('td_replay.py@8x30s', deps=['tdc.py']),
Job('spectrum.py@1x2s', deps=['tdc.py']),
Job('td_fdm_replay.py@1x5s', deps=['tdc.py']),
Job('ksd_init.py@1x5s', deps=['gs.py']),
Job('fdm_ind.py@1x2s', deps=['td_fdm_replay.py']),
Job('spec_plot.py@1x2s', deps=['spectrum.py']),
Job('tcm_plot.py@1x2s', deps=['ksd_init.py', 'td_fdm_replay.py', 'spectrum.py']),
Job('ind_plot.py@1x2s', deps=['fdm_ind.py'])]
def agts(queue):
gs = queue.add('gs.py', ncpus=8, walltime=10)
td0 = queue.add('td.py', deps=[gs], ncpus=8, walltime=30)
td = queue.add('tdc.py', deps=[td0], ncpus=8, walltime=30)
queue.add('td_replay.py', deps=[td], ncpus=8, walltime=30)
spec = queue.add('spectrum.py', deps=[td], ncpus=1, walltime=2)
fdm = queue.add('td_fdm_replay.py', deps=[td], ncpus=1, walltime=5)
ksd = queue.add('ksd_init.py', deps=[gs], ncpus=1, walltime=5)
ind = queue.add('fdm_ind.py', deps=[fdm], ncpus=1, walltime=2)
queue.add('spec_plot.py', deps=[spec], ncpus=1, walltime=2,
creates=['spec.png'])
queue.add('tcm_plot.py', deps=[ksd, fdm, spec], ncpus=1, walltime=2,
creates=['tcm_1.12.png', 'tcm_2.48.png',
'table_1.12.txt', 'table_2.48.txt'])
queue.add('ind_plot.py', deps=[ind], ncpus=1, walltime=2,
creates=['ind_1.12.png', 'ind_2.48.png'])
Job('gs.py@8x10m'),
Job('td.py@8x30m', deps=['gs.py']),
Job('tdc.py@8x30m', deps=['td.py']),
Job('td_replay.py@8x30m', deps=['tdc.py']),
Job('spectrum.py@1x2m', deps=['tdc.py']),
Job('td_fdm_replay.py@1x5m', deps=['tdc.py']),
Job('ksd_init.py@1x5m', deps=['gs.py']),
Job('fdm_ind.py@1x2m', deps=['td_fdm_replay.py']),
Job('spec_plot.py@1x2m', deps=['spectrum.py']),
Job('tcm_plot.py@1x2m',
deps=['ksd_init.py', 'td_fdm_replay.py', 'spectrum.py']),
Job('ind_plot.py@1x2m', deps=['fdm_ind.py'])]
......@@ -3,7 +3,7 @@ from myqueue.job import Job
def workflow():
return [
Job('Be_gs_8bands.py@2x20s'),
Job('Be_8bands_lrtddft.py@2x20s', deps=['Be_gs_8bands.py']),
Job('Be_8bands_lrtddft_dE.py@2x20s', deps=['Be_gs_8bands.py']),
Job('Na2_relax_excited.py@4x8m')]
Job('Be_gs_8bands.py@2x20m'),
Job('Be_8bands_lrtddft.py@2x20m', deps=['Be_gs_8bands.py']),
Job('Be_8bands_lrtddft_dE.py@2x20m', deps=['Be_gs_8bands.py']),
Job('Na2_relax_excited.py@4x8h')]
......@@ -3,7 +3,7 @@ from myqueue.job import Job
def workflow():
return [
Job('Na2TDDFT.py@2x1m'),
Job('Na2TDDFT.py@2x1h'),
Job('part2.py', deps=['Na2TDDFT.py']),
Job('ground_state.py@8x15s'),
Job('spectrum.py', deps=['ground_state.py'])]
......@@ -3,5 +3,5 @@ from myqueue.job import Job
def workflow():
return [
Job('atomize.py@1x30s'),
Job('relax.py@1x30s', deps=['atomize.py'])]
Job('atomize.py@1x30m'),
Job('relax.py@1x30m', deps=['atomize.py'])]
......@@ -3,4 +3,4 @@ from myqueue.job import Job
def workflow():
return [
Job('NaCl.py@1x30s')]
Job('NaCl.py@1x30m')]
......@@ -3,4 +3,4 @@ from myqueue.job import Job
def workflow():
return [
Job('gllbsc_band_gap.py@1x30s')]
Job('gllbsc_band_gap.py@1x30m')]
......@@ -3,4 +3,4 @@ from myqueue.job import Job
def workflow():
return [
Job('bandstructure.py@1x5s')]
Job('bandstructure.py@1x5m')]
......@@ -3,12 +3,12 @@ from myqueue.job import Job
def workflow():
return [
Job('gs_Si.py@4x20s'),
Job('eps_Si.py@4x4m', deps=['gs_Si.py']),
Job('plot_Si.py@1x10s', deps=['eps_Si.py']),
Job('gs_MoS2.py@4x1m'),
Job('pol_MoS2.py@64x33m', deps=['gs_MoS2.py']),
Job('plot_MoS2.py@1x10s', deps=['pol_MoS2.py']),
Job('get_2d_eps.py@1x8m', deps=['gs_MoS2.py']),
Job('plot_2d_eps.py@1x10s', deps=['get_2d_eps.py']),
Job('alpha_MoS2.py@1x10s', deps=['gs_MoS2.py'])]
Job('gs_Si.py@4x20m'),
Job('eps_Si.py@4x6h', deps=['gs_Si.py']),
Job('plot_Si.py@1x10m', deps=['eps_Si.py']),
Job('gs_MoS2.py@4x1h'),
Job('pol_MoS2.py@64x33h', deps=['gs_MoS2.py']),
Job('plot_MoS2.py@1x10m', deps=['pol_MoS2.py']),
Job('get_2d_eps.py@1x8h', deps=['gs_MoS2.py']),
Job('plot_2d_eps.py@1x10m', deps=['get_2d_eps.py']),
Job('alpha_MoS2.py@1x10m', deps=['gs_MoS2.py'])]
......@@ -3,5 +3,5 @@ from myqueue.job import Job
def workflow():
return [
Job('ethanol_in_water.py@4x10s'),
Job('ethanol_in_water.py@4x10m'),
Job('check.py', deps=['ethanol_in_water.py'])]
......@@ -5,12 +5,13 @@ def workflow():
return [
Job('plot_freq.py'),
Job('silicon_ABS_simpleversion.py'),
Job('plot_silicon_ABS_simple.py', deps=['silicon_ABS_simpleversion.py']),
Job('silicon_ABS.py@16x1m'),
Job('plot_silicon_ABS_simple.py',
deps=['silicon_ABS_simpleversion.py']),
Job('silicon_ABS.py@16x1h'),
Job('plot_ABS.py', deps=['silicon_ABS.py']),
Job('aluminum_EELS.py@8x1m'),
Job('aluminum_EELS.py@8x1h'),
Job('plot_aluminum_EELS_simple.py', deps=['aluminum_EELS.py']),
Job('graphite_EELS.py@8x1m'),
Job('graphite_EELS.py@8x1h'),
Job('plot_EELS.py', deps=['graphite_EELS.py']),
Job('tas2_dielectric_function.py@8x15s'),
Job('graphene_dielectric_function.py@8x15s')]
Job('tas2_dielectric_function.py@8x15m'),
Job('graphene_dielectric_function.py@8x15m')]
......@@ -3,7 +3,7 @@ from myqueue.job import Job
def workflow():
return [
Job('dipole.py@4x1m'),
Job('dipole.py@4x1h'),
Job('pwdipole.py'),
Job('plot.py', deps=['dipole.py', 'pwdipole.py']),
Job('check.py', deps=['dipole.py', 'pwdipole.py'])]
......@@ -3,15 +3,16 @@ from myqueue.job import Job
def workflow():
return [
Job('C_ecut_k_conv_GW.py@8x20m'),
Job('C_ecut_k_conv_GW.py@8x20h'),
Job('C_ecut_k_conv_plot_GW.py', deps=['C_ecut_k_conv_GW.py']),
Job('C_ecut_extrap.py', deps=['C_ecut_k_conv_GW.py']),
Job('C_frequency_conv.py@1x30s'),
Job('C_frequency_conv.py@1x30m'),
Job('C_frequency_conv_plot.py', deps=['C_frequency_conv.py']),
Job('C_equal_test.py', deps=['C_ecut_k_conv_GW.py', 'C_frequency_conv.py']),
Job('BN_GW0.py@1x1m'),
Job('C_equal_test.py',
deps=['C_ecut_k_conv_GW.py', 'C_frequency_conv.py']),
Job('BN_GW0.py@1x1h'),
Job('BN_GW0_plot.py', deps=['BN_GW0.py']),
Job('MoS2_gs_GW.py@1x1m'),
Job('MoS2_GWG.py@8x20s', deps=['MoS2_gs_GW.py']),
Job('MoS2_gs_GW.py@1x2h'),
Job('MoS2_GWG.py@8x20m', deps=['MoS2_gs_GW.py']),
Job('MoS2_bs_plot.py', deps=['MoS2_GWG.py']),
Job('check_gw.py', deps=['MoS2_GWG.py'])]
......@@ -3,7 +3,7 @@ from myqueue.job import Job
def workflow():
return [
Job('bulk.py@4x6s'),
Job('surface.py@4x6s'),
Job('bulk.py@4x6m'),
Job('surface.py@4x6m'),
Job('sigma.py', deps=['bulk.py', 'surface.py']),
Job('fig2.py', deps=['sigma.py'])]
......@@ -4,13 +4,9 @@ from myqueue.job import Job
def workflow():
return [
Job('al.py@8x12m'),
Job('al.py@8x12h'),
Job('al.agts.py', deps=['al.py'])]
def agts(queue):
al = queue.add('al.py', ncpus=8, walltime=12 * 60)
queue.add('al.agts.py', deps=[al],
creates=['Al_conv_ecut.png', 'Al_conv_k.png'])
if __name__ == '__main__':
import pylab as plt
......
......@@ -3,6 +3,6 @@ from myqueue.job import Job
def workflow():
return [
Job('diffusion1.py@4x10s'),
Job('neb.py@6x1m', deps=['diffusion1.py']),
Job('diffusion1.py@4x10m'),
Job('neb.py@6x1h', deps=['diffusion1.py']),
Job('check.py', deps=['neb.py'])]
......@@ -4,5 +4,5 @@ from myqueue.job import Job
def workflow():
return [
Job('gaps.py'),
Job('eos.py@4x10m'),
Job('eos.py@4x10h'),
Job('plot_a.py', deps=['eos.py'])]
......@@ -3,9 +3,9 @@ from myqueue.job import Job
def workflow():
return [
Job('gs_MoS2.py@16x25s'),
Job('gs_WSe2.py@16x25s'),
Job('bb_MoS2.py@16x20m', deps=['gs_MoS2.py']),
Job('bb_WSe2.py@16x20m', deps=['gs_WSe2.py']),
Job('gs_MoS2.py@16x25m'),
Job('gs_WSe2.py@16x25m'),
Job('bb_MoS2.py@16x20h', deps=['gs_MoS2.py']),
Job('bb_WSe2.py@16x20h', deps=['gs_WSe2.py']),
Job('interpolate_bb.py', deps=['bb_MoS2.py', 'bb_WSe2.py']),
Job('interlayer.py', deps=['interpolate_bb.py'])]
......@@ -3,10 +3,10 @@ from myqueue.job import Job
def workflow():
return [
Job('gs_N2.py@8x30s'),
Job('frequency.py@1x3m', deps=['gs_N2.py']),
Job('con_freq.py@2x16m', deps=['gs_N2.py']),
Job('rpa_N2.py@32x20m', deps=['gs_N2.py']),
Job('gs_N2.py@8x30m'),
Job('frequency.py@1x3h', deps=['gs_N2.py']),
Job('con_freq.py@2x16h', deps=['gs_N2.py']),
Job('rpa_N2.py@32x20h', deps=['gs_N2.py']),
Job('plot_w.py', deps=['frequency.py', 'con_freq.py']),
Job('plot_con_freq.py', deps=['con_freq.py']),
Job('extrapolate.py', deps=['rpa_N2.py'])]
......@@ -3,20 +3,20 @@ from myqueue.job import Job
def workflow():
return [
Job('Pt_gs.py@4x20s'),
Job('Pt_bands.py@32x1m', deps=['Pt_gs.py']),
Job('plot_Pt_bands.py@1x10s', deps=['Pt_bands.py']),
Job('WS2_gs.py@4x20s'),
Job('WS2_bands.py@32x3m', deps=['WS2_gs.py']),
Job('plot_WS2_bands.py@1x10s', deps=['WS2_bands.py']),
Job('Fe_gs.py@4x20s'),
Job('Fe_bands.py@32x1m', deps=['Fe_gs.py']),
Job('plot_Fe_bands.py@1x10s', deps=['Fe_bands.py']),
Job('gs_Bi2Se3.py@4x40s'),
Job('Bi2Se3_bands.py@32x5m', deps=['gs_Bi2Se3.py']),
Job('high_sym.py@4x30s', deps=['gs_Bi2Se3.py']),
Job('parity.py@1x5s', deps=['high_sym.py']),
Job('plot_Bi2Se3_bands.py@1x2s', deps=['Bi2Se3_bands.py']),
Job('gs_Co.py@32x2m'),
Job('anisotropy.py@1x5m', deps=['gs_Co.py']),
Job('plot_anisotropy.py@1x2s', deps=['anisotropy.py'])]
Job('Pt_gs.py@4x20m'),
Job('Pt_bands.py@32x1h', deps=['Pt_gs.py']),
Job('plot_Pt_bands.py@1x10m', deps=['Pt_bands.py']),
Job('WS2_gs.py@4x20h'),
Job('WS2_bands.py@32x3h', deps=['WS2_gs.py']),
Job('plot_WS2_bands.py@1x10m', deps=['WS2_bands.py']),
Job('Fe_gs.py@4x20m'),
Job('Fe_bands.py@32x1h', deps=['Fe_gs.py']),
Job('plot_Fe_bands.py@1x10m', deps=['Fe_bands.py']),
Job('gs_Bi2Se3.py@4x40m'),
Job('Bi2Se3_bands.py@32x5h', deps=['gs_Bi2Se3.py']),
Job('high_sym.py@4x30h', deps=['gs_Bi2Se3.py']),
Job('parity.py@1x5h', deps=['high_sym.py']),
Job('plot_Bi2Se3_bands.py@1x2h', deps=['Bi2Se3_bands.py']),
Job('gs_Co.py@32x2h'),
Job('anisotropy.py@1x5h', deps=['gs_Co.py']),
Job('plot_anisotropy.py@1x2m', deps=['anisotropy.py'])]
......@@ -3,6 +3,6 @@ from myqueue.job import Job
def workflow():
return [
Job('gs_3x3_defect.py@16x5s'),
Job('unfold_3x3_defect.py@16x10s', deps=['gs_3x3_defect.py']),
Job('gs_3x3_defect.py@16x5m'),
Job('unfold_3x3_defect.py@16x10m', deps=['gs_3x3_defect.py']),
Job('plot_sf.py', deps=['unfold_3x3_defect.py'])]
......@@ -5,9 +5,9 @@ def workflow():
from myqueue.job import Job
return [
Job('setups.py'),
Job('run.py@8x25s', deps=['setups.py']),
Job('dks.py@8x25s', deps=['setups.py']),
Job('h2o_xas_box1.py@8x25s', deps=['setups.py']),
Job('run.py@8x25m', deps=['setups.py']),
Job('dks.py@8x25m', deps=['setups.py']),
Job('h2o_xas_box1.py@8x25m', deps=['setups.py']),
Job('submit.agts.py', deps=['run.py', 'dks.py', 'h2o_xas_box1.py'])]
......
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