Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run cuda-mpi-omp: [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] 4.379017615445220e-02 4.379017615445038e-02 3.610000000000000e-15 1.824929096727601e-15 PASS
Lx [step 50] 7.224678178818111e-03 7.224678178819371e-03 6.700000000000000e-15 -1.259409243559162e-15 PASS
Lx [step 75] -1.948226432550137e-02 -1.948226432550091e-02 5.550000000000000e-15 -4.649058915617843e-16 PASS
Lx [step 100] -3.047277365035899e-02 -3.047277365035511e-02 7.000000000000000e+00 -3.878841692284141e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184675044897131e-02 -7.184675044896897e-02 3.880000000000000e-15 -2.331468351712829e-15 PASS
Ly [step 50] -7.123184761548954e-03 -7.123184761548256e-03 6.950000000000000e-15 -6.973588373426765e-16 PASS
Ly [step 75] -4.172386570338989e-02 -4.172386570339066e-02 4.960000000000000e-15 7.771561172376096e-16 PASS
Ly [step 100] -5.777037007126617e-02 -5.777037007126750e-02 4.070000000000000e-15 1.325328735646281e-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] 7.711998558586335e-03 7.711998558587046e-03 4.580000000000000e-15 -7.112366251504909e-16 PASS
Lz [step 75] 7.208133272378628e-02 7.208133272378753e-02 5.780000000000000e-15 -1.249000902703301e-15 PASS
Lz [step 100] 5.119788868443371e-02 5.119788868443480e-02 5.660000000000000e-15 -1.089406342913435e-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
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