Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589532e+01 -2.319596313589528e+01 2.320000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 25] -2.306769742300152e+01 -2.306769742300152e+01 2.310000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 50] -2.306775467891817e+01 -2.306775467891822e+01 2.310000000000000e-13 4.618527782440651e-14 PASS
Energy [step 75] -2.306781599419034e+01 -2.306781599419036e+01 2.310000000000000e-13 2.131628207280301e-14 PASS
Energy [step 100] -2.306787047809803e+01 -2.306787047809808e+01 2.310000000000000e-13 4.973799150320701e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378965974524908e-02 4.379020381176082e-02 3.240000000000000e-15 -5.440665117456556e-07 FAIL
Lx [step 50] 7.225107087446697e-03 7.224735351252857e-03 5.220000000000000e-15 3.717361938401428e-07 FAIL
Lx [step 75] -1.948215140876329e-02 -1.948219859188698e-02 5.000000000000000e-15 4.718312368937050e-08 FAIL
Lx [step 100] -3.047346537069183e-02 -3.047272914508759e-02 4.720000000000000e-15 -7.362256042378612e-07 FAIL
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184616170097233e-02 -7.184679143626962e-02 1.000000000000000e-14 6.297352972972625e-07 FAIL
Ly [step 50] -7.123325393865759e-03 -7.123199186356521e-03 1.000000000000000e-14 -1.262075092385573e-07 FAIL
Ly [step 75] -4.172412052629210e-02 -4.172388260206918e-02 1.000000000000000e-14 -2.379242229136325e-07 FAIL
Ly [step 100] -5.776882292530292e-02 -5.777039641925555e-02 1.000000000000000e-14 1.573493952633509e-06 FAIL
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756085895198521e-02 -9.756003875546621e-02 5.380000000000000e-15 -8.201965190079985e-07 FAIL
Lz [step 50] 7.711103655783681e-03 7.711963005751169e-03 3.770000000000000e-15 -8.593499674879046e-07 FAIL
Lz [step 75] 7.208055358681348e-02 7.208133915095838e-02 4.980000000000000e-15 -7.855641449006079e-07 FAIL
Lz [step 100] 5.119894342553998e-02 5.119795103139421e-02 6.180000000000000e-15 9.923941457629093e-07 FAIL
Q(-2)[step 1] -4.545137052199741e+00 -4.545137052199738e+00 4.550000000000000e-14 -2.664535259100376e-15 PASS
Q(-2)[step 25] -4.611689024889131e+00 -4.611689024889114e+00 4.610000000000000e-14 -1.687538997430238e-14 PASS
Q(-2)[step 50] -4.687399335170605e+00 -4.687399335170606e+00 4.690000000000000e-14 8.881784197001252e-16 PASS
Q(-2)[step 75] -4.392452781162873e+00 -4.392452781162872e+00 4.390000000000000e-14 -8.881784197001252e-16 PASS
Q(-2)[step 100] -4.181650669192829e+00 -4.181650669192826e+00 4.180000000000000e-14 -2.664535259100376e-15 PASS
Q(-1)[step 1] 4.178376177672453e+00 4.178376177672466e+00 4.180000000000000e-14 -1.332267629550188e-14 PASS
Q(-1)[step 25] 4.182321698162394e+00 4.182321698162409e+00 4.180000000000000e-14 -1.509903313490213e-14 PASS
Q(-1)[step 50] 4.130858161889465e+00 4.130858161889484e+00 4.130000000000000e-14 -1.865174681370263e-14 PASS
Q(-1)[step 75] 4.065033937225675e+00 4.065033937225686e+00 5.570000000000000e-14 -1.065814103640150e-14 PASS
Q(-1)[step 100] 4.091905451310809e+00 4.091905451310831e+00 4.930000000000000e-14 -2.220446049250313e-14 PASS
Q( 0)[step 1] -7.137538347499758e+00 -7.137538347499744e+00 7.140000000000000e-14 -1.421085471520200e-14 PASS
Q( 0)[step 25] -7.469859326094162e+00 -7.469859326094152e+00 7.470000000000000e-14 -9.769962616701378e-15 PASS
Q( 0)[step 50] -7.808671887849147e+00 -7.808671887849136e+00 7.810000000000000e-14 -1.154631945610163e-14 PASS
Q( 0)[step 75] -7.739382942403759e+00 -7.739382942403811e+00 7.740000000000000e-14 5.151434834260726e-14 PASS
Q( 0)[step 100] -7.647990088222063e+00 -7.647990088222071e+00 7.650000000000000e-14 7.993605777301127e-15 PASS
Q( 1)[step 1] -4.826117320427214e+00 -4.826117320427213e+00 4.830000000000000e-14 -8.881784197001252e-16 PASS
Q( 1)[step 25] -4.732913015579484e+00 -4.732913015579491e+00 4.730000000000000e-14 6.217248937900877e-15 PASS
Q( 1)[step 50] -4.489482808607189e+00 -4.489482808607196e+00 4.490000000000000e-14 7.105427357601002e-15 PASS
Q( 1)[step 75] -4.327506057884661e+00 -4.327506057884650e+00 2.160000000000000e-13 -1.065814103640150e-14 PASS
Q( 1)[step 100] -4.287562118473171e+00 -4.287562118473162e+00 4.290000000000000e-14 -8.881784197001252e-15 PASS
Q( 2)[step 1] 1.189093351652639e+01 1.189093351652641e+01 1.190000000000000e-13 -1.953992523340276e-14 PASS
Q( 2)[step 25] 1.233960581602608e+01 1.233960581602611e+01 1.230000000000000e-13 -3.375077994860476e-14 PASS
Q( 2)[step 50] 1.278020792727984e+01 1.278020792727984e+01 1.280000000000000e-13 -1.776356839400250e-15 PASS
Q( 2)[step 75] 1.272940184332372e+01 1.272940184332372e+01 1.270000000000000e-13 1.776356839400250e-15 PASS
Q( 2)[step 100] 1.255124012540242e+01 1.255124012540242e+01 1.260000000000000e-13 -3.552713678800501e-15 PASS
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