Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -2.319596313589529e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -1.065814103640150e-14 | PASS |
Energy [step 25] | -2.306769742316818e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | 1.776356839400250e-14 | PASS |
Energy [step 50] | -2.306775467908145e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | 4.263256414560601e-14 | PASS |
Energy [step 75] | -2.306781599435064e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | 3.552713678800501e-15 | PASS |
Energy [step 100] | -2.306787047825553e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | 1.421085471520200e-14 | PASS |
Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lx [step 25] | 4.378963208778633e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | -5.440666640474379e-07 | FAIL |
Lx [step 50] | 7.225049915504322e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | 3.717366849516346e-07 | FAIL |
Lx [step 75] | -1.948221714226074e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | 4.718324016911302e-08 | FAIL |
Lx [step 100] | -3.047350987618337e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | -7.362258282600509e-07 | PASS |
Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Ly [step 25] | -7.184612071306176e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | 6.297359072121589e-07 | FAIL |
Ly [step 50] | -7.123310970342023e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | -1.262087937665968e-07 | FAIL |
Ly [step 75] | -4.172410362828752e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | -2.379248968606418e-07 | FAIL |
Ly [step 100] | -5.776879657671131e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | 1.573494556185440e-06 | FAIL |
Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lz [step 25] | -9.756078708014264e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | -8.201960829262722e-07 | FAIL |
Lz [step 50] | 7.711139208459214e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -8.593501278318649e-07 | FAIL |
Lz [step 75] | 7.208054716003578e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -7.855637517428793e-07 | FAIL |
Lz [step 100] | 5.119888107956191e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | 9.923951271098574e-07 | FAIL |
Q(-2)[step 1] | -4.545137226010310e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | -7.993605777301127e-15 | PASS |
Q(-2)[step 25] | -4.611689082743378e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -1.421085471520200e-14 | PASS |
Q(-2)[step 50] | -4.687399395140338e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -1.509903313490213e-14 | PASS |
Q(-2)[step 75] | -4.392452874733466e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -1.776356839400250e-15 | PASS |
Q(-2)[step 100] | -4.181650789981208e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -1.598721155460225e-14 | PASS |
Q(-1)[step 1] | 4.178376526406842e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -6.217248937900877e-15 | PASS |
Q(-1)[step 25] | 4.182321921047405e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -5.329070518200751e-15 | PASS |
Q(-1)[step 50] | 4.130858295004424e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | -3.552713678800501e-15 | PASS |
Q(-1)[step 75] | 4.065033999154394e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | -1.776356839400250e-15 | PASS |
Q(-1)[step 100] | 4.091905436315849e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | -1.154631945610163e-14 | PASS |
Q( 0)[step 1] | -7.137538508704719e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -6.217248937900877e-15 | PASS |
Q( 0)[step 25] | -7.469859499745989e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -8.881784197001252e-15 | PASS |
Q( 0)[step 50] | -7.808672080156414e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | -8.881784197001252e-15 | PASS |
Q( 0)[step 75] | -7.739383133589480e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 0.000000000000000e+00 | PASS |
Q( 0)[step 100] | -7.647990218749473e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 3.286260152890463e-14 | PASS |
Q( 1)[step 1] | -4.826117423972637e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -1.243449787580175e-14 | PASS |
Q( 1)[step 25] | -4.732913099704421e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -7.105427357601002e-15 | PASS |
Q( 1)[step 50] | -4.489483009608302e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -2.664535259100376e-15 | PASS |
Q( 1)[step 75] | -4.327506323667970e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -2.131628207280301e-14 | PASS |
Q( 1)[step 100] | -4.287562363821928e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -2.575717417130363e-14 | PASS |
Q( 2)[step 1] | 1.189093313557996e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -6.394884621840902e-14 | PASS |
Q( 2)[step 25] | 1.233960558678195e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | -2.842170943040401e-14 | PASS |
Q( 2)[step 50] | 1.278020775793096e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | -2.131628207280301e-14 | PASS |
Q( 2)[step 75] | 1.272940168424051e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | -1.065814103640150e-14 | PASS |
Q( 2)[step 100] | 1.255123999562221e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | -3.019806626980426e-14 | PASS |