Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589534e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -5.684341886080801e-14 | PASS |
| Energy [step 25] | -2.306769742300152e+01 | -2.306769742300152e+01 | 2.310000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 50] | -2.306775467891830e+01 | -2.306775467891822e+01 | 2.310000000000000e-13 | -8.171241461241152e-14 | PASS |
| Energy [step 75] | -2.306781599419037e+01 | -2.306781599419036e+01 | 2.310000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 100] | -2.306787047809814e+01 | -2.306787047809808e+01 | 2.310000000000000e-13 | -6.394884621840902e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379020381176105e-02 | 4.379020381176082e-02 | 2.160000000000000e-15 | 2.220446049250313e-16 | PASS |
| Lx [step 50] | 7.224735351250372e-03 | 7.224735351252857e-03 | 3.100000000000000e-15 | -2.484991379336776e-15 | PASS |
| Lx [step 75] | -1.948219859188363e-02 | -1.948219859188698e-02 | 5.000000000000000e-15 | 3.348016308635238e-15 | PASS |
| Lx [step 100] | -3.047272914508663e-02 | -3.047272914508759e-02 | 3.730000000000000e-15 | 9.575673587391975e-16 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184679143626674e-02 | -7.184679143626962e-02 | 4.690000000000000e-15 | 2.886579864025407e-15 | PASS |
| Ly [step 50] | -7.123199186360479e-03 | -7.123199186356521e-03 | 4.360000000000000e-15 | -3.958638972179074e-15 | PASS |
| Ly [step 75] | -4.172388260207027e-02 | -4.172388260206918e-02 | 2.980000000000000e-15 | -1.082467449009528e-15 | PASS |
| Ly [step 100] | -5.777039641925640e-02 | -5.777039641925555e-02 | 4.870000000000000e-15 | -8.465450562766819e-16 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.756003875546491e-02 | -9.756003875546621e-02 | 5.380000000000000e-15 | 1.290634266126744e-15 | PASS |
| Lz [step 50] | 7.711963005753757e-03 | 7.711963005751169e-03 | 3.770000000000000e-15 | 2.588207426157396e-15 | PASS |
| Lz [step 75] | 7.208133915095408e-02 | 7.208133915095838e-02 | 4.980000000000000e-15 | -4.302114220422482e-15 | PASS |
| Lz [step 100] | 5.119795103139109e-02 | 5.119795103139421e-02 | 6.180000000000000e-15 | -3.122502256758253e-15 | PASS |
| Q(-2)[step 1] | -4.545137052199737e+00 | -4.545137052199738e+00 | 4.550000000000000e-14 | 8.881784197001252e-16 | PASS |
| Q(-2)[step 25] | -4.611689024889140e+00 | -4.611689024889114e+00 | 4.610000000000000e-14 | -2.575717417130363e-14 | PASS |
| Q(-2)[step 50] | -4.687399335170610e+00 | -4.687399335170606e+00 | 4.690000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q(-2)[step 75] | -4.392452781162880e+00 | -4.392452781162872e+00 | 4.390000000000000e-14 | -7.993605777301127e-15 | PASS |
| Q(-2)[step 100] | -4.181650669192838e+00 | -4.181650669192826e+00 | 4.180000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q(-1)[step 1] | 4.178376177672448e+00 | 4.178376177672466e+00 | 4.180000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q(-1)[step 25] | 4.182321698162399e+00 | 4.182321698162409e+00 | 4.180000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q(-1)[step 50] | 4.130858161889474e+00 | 4.130858161889484e+00 | 4.130000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q(-1)[step 75] | 4.065033937225700e+00 | 4.065033937225686e+00 | 5.570000000000000e-14 | 1.421085471520200e-14 | PASS |
| Q(-1)[step 100] | 4.091905451310837e+00 | 4.091905451310831e+00 | 4.930000000000000e-14 | 6.217248937900877e-15 | PASS |
| Q( 0)[step 1] | -7.137538347499755e+00 | -7.137538347499744e+00 | 7.140000000000000e-14 | -1.154631945610163e-14 | PASS |
| Q( 0)[step 25] | -7.469859326094173e+00 | -7.469859326094152e+00 | 7.470000000000000e-14 | -2.042810365310288e-14 | PASS |
| Q( 0)[step 50] | -7.808671887849170e+00 | -7.808671887849136e+00 | 7.810000000000000e-14 | -3.375077994860476e-14 | PASS |
| Q( 0)[step 75] | -7.739382942403785e+00 | -7.739382942403811e+00 | 7.740000000000000e-14 | 2.575717417130363e-14 | PASS |
| Q( 0)[step 100] | -7.647990088222049e+00 | -7.647990088222071e+00 | 7.650000000000000e-14 | 2.220446049250313e-14 | PASS |
| Q( 1)[step 1] | -4.826117320427216e+00 | -4.826117320427213e+00 | 4.830000000000000e-14 | -3.552713678800501e-15 | PASS |
| Q( 1)[step 25] | -4.732913015579492e+00 | -4.732913015579491e+00 | 4.730000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q( 1)[step 50] | -4.489482808607198e+00 | -4.489482808607196e+00 | 4.490000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q( 1)[step 75] | -4.327506057884657e+00 | -4.327506057884650e+00 | 2.160000000000000e-13 | -6.217248937900877e-15 | PASS |
| Q( 1)[step 100] | -4.287562118473172e+00 | -4.287562118473162e+00 | 4.290000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q( 2)[step 1] | 1.189093351652638e+01 | 1.189093351652641e+01 | 1.190000000000000e-13 | -2.664535259100376e-14 | PASS |
| Q( 2)[step 25] | 1.233960581602608e+01 | 1.233960581602611e+01 | 1.230000000000000e-13 | -3.197442310920451e-14 | PASS |
| Q( 2)[step 50] | 1.278020792727985e+01 | 1.278020792727984e+01 | 1.280000000000000e-13 | 1.243449787580175e-14 | PASS |
| Q( 2)[step 75] | 1.272940184332373e+01 | 1.272940184332372e+01 | 1.270000000000000e-13 | 7.105427357601002e-15 | PASS |
| Q( 2)[step 100] | 1.255124012540241e+01 | 1.255124012540242e+01 | 1.260000000000000e-13 | -1.065814103640150e-14 | PASS |