Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589531e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 25] | -2.306769742316818e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | 1.776356839400250e-14 | PASS |
| Energy [step 50] | -2.306775467908155e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | -6.394884621840902e-14 | PASS |
| Energy [step 75] | -2.306781599435052e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | 1.207922650792170e-13 | PASS |
| Energy [step 100] | -2.306787047825555e+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] | 4.379017615445207e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | 1.693090112553364e-15 | PASS |
| Lx [step 50] | 7.224678178818111e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | -1.259409243559162e-15 | PASS |
| Lx [step 75] | -1.948226432550142e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | -5.065392549852277e-16 | PASS |
| Lx [step 100] | -3.047277365035901e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | -3.899658373995862e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184675044897125e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | -2.275957200481571e-15 | PASS |
| Ly [step 50] | -7.123184761548995e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | -7.389922007661198e-16 | PASS |
| Ly [step 75] | -4.172386570338980e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | 8.604228440844963e-16 | PASS |
| Ly [step 100] | -5.777037007126612e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | 1.380839886877538e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.755996688406239e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | -2.678413046908190e-15 | PASS |
| Lz [step 50] | 7.711998558586300e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -7.459310946700271e-16 | PASS |
| Lz [step 75] | 7.208133272378628e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -1.249000902703301e-15 | PASS |
| Lz [step 100] | 5.119788868443349e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | -1.318389841742373e-15 | PASS |
| Q(-2)[step 1] | -4.545137226010283e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | 1.865174681370263e-14 | PASS |
| Q(-2)[step 25] | -4.611689082743380e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q(-2)[step 50] | -4.687399395140321e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | 1.776356839400250e-15 | PASS |
| Q(-2)[step 75] | -4.392452874733492e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -2.842170943040401e-14 | PASS |
| Q(-2)[step 100] | -4.181650789981191e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | 8.881784197001252e-16 | PASS |
| Q(-1)[step 1] | 4.178376526406830e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -1.776356839400250e-14 | PASS |
| Q(-1)[step 25] | 4.182321921047389e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -2.131628207280301e-14 | PASS |
| Q(-1)[step 50] | 4.130858295004417e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | -1.065814103640150e-14 | PASS |
| Q(-1)[step 75] | 4.065033999154378e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q(-1)[step 100] | 4.091905436315831e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | -2.930988785010413e-14 | PASS |
| Q( 0)[step 1] | -7.137538508704727e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -1.421085471520200e-14 | PASS |
| Q( 0)[step 25] | -7.469859499746001e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -2.131628207280301e-14 | PASS |
| Q( 0)[step 50] | -7.808672080156398e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | 7.993605777301127e-15 | PASS |
| Q( 0)[step 75] | -7.739383133589459e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 2.131628207280301e-14 | PASS |
| Q( 0)[step 100] | -7.647990218749545e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | -3.907985046680551e-14 | PASS |
| Q( 1)[step 1] | -4.826117423972626e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q( 1)[step 25] | -4.732913099704414e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -8.881784197001252e-16 | PASS |
| Q( 1)[step 50] | -4.489483009608302e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -2.664535259100376e-15 | PASS |
| Q( 1)[step 75] | -4.327506323667968e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q( 1)[step 100] | -4.287562363821928e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -2.664535259100376e-14 | PASS |
| Q( 2)[step 1] | 1.189093313558007e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | 4.618527782440651e-14 | PASS |
| Q( 2)[step 25] | 1.233960558678194e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | -3.552713678800501e-14 | PASS |
| Q( 2)[step 50] | 1.278020775793095e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | -3.197442310920451e-14 | PASS |
| Q( 2)[step 75] | 1.272940168424048e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | -4.085620730620576e-14 | PASS |
| Q( 2)[step 100] | 1.255123999562223e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | -5.329070518200751e-15 | PASS |