Match comparison for X Force Atom 1 [step 20] (match type 14057)

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.587430783005920e+01 7.940000000000000e-13 -1.587430783005919e+01 1.099812130019889e-14 -1.587430783005920e+01 2.309263891220326e-14 PASS
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Detailed information

Reference: -15.8743078300592, precision: 0.000000000000794
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
cmake_foss_2022a_full_mpi -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
cmake_foss_2022a_min_serial -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
cmake_foss_2022a_min_mpi -1.587430783005922e+01 -2.131628207280301e-14 -2.684670286247230e-02 PASS
spack_foss-2022a_cuda_mpi_omp -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2022a_mpi -1.587430783005920e+01 -3.552713678800501e-15 -4.474450477078716e-03 PASS
spack_foss-2022a_mpi_min -1.587430783005920e+01 -3.552713678800501e-15 -4.474450477078716e-03 PASS
spack_foss-2022a_serial -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2022a_serial_min -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2023a_mpi -1.587430783005920e+01 -3.552713678800501e-15 -4.474450477078716e-03 PASS
spack_foss-2023a_mpi_min -1.587430783005920e+01 -3.552713678800501e-15 -4.474450477078716e-03 PASS
spack_foss-2022a_cuda_serial -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2023a_serial -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2023a_mpi_opt -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2023a_serial_min -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2023a_mpi_omp -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2023a_serial_opt -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2023a_serial_omp -1.587430783005919e+01 7.105427357601002e-15 8.948900954157433e-03 PASS
spack_foss-2023b_serial -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_intel-2023a_serial -1.587430783005918e+01 2.486899575160351e-14 3.132115333955102e-02 PASS
spack_intel-2022a_serial_omp -1.587430783005921e+01 -8.881784197001252e-15 -1.118612619269679e-02 PASS
spack_intel-2023a_impi -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_intel-2023a_serial_omp -1.587430783005921e+01 -8.881784197001252e-15 -1.118612619269679e-02 PASS
spack_intel-2022a_impi_omp -1.587430783005918e+01 2.486899575160351e-14 3.132115333955102e-02 PASS