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

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > 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 3.656394425008480e-14 -1.587430783005913e+01 7.993605777301127e-14 PASS

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Detailed information

Reference: -15.8743078300592, precision: 0.000000000000794
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2023a_serial_min -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2022a_serial_opt -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2022a_serial -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2022a_ppc -1.587430783005905e+01 1.509903313490213e-13 1.901641452758454e-01 PASS
spack_foss-2022a_mpi_min -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_serial_debug -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_foss-2022a_mpi_opt -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_intel-2022a_serial_omp -1.587430783005921e+01 -8.881784197001252e-15 -1.118612619269679e-02 PASS
spack_foss-2022a_mpi -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_intel-2023a_impi -1.587430783005919e+01 1.421085471520200e-14 1.789780190831487e-02 PASS
spack_foss-2022a_mpi_debug -1.587430783005920e+01 -3.552713678800501e-15 -4.474450477078716e-03 PASS
spack_foss-2022a_cuda_mpi_omp -1.587430783005920e+01 1.776356839400250e-15 2.237225238539358e-03 PASS
spack_intel-2022a_impi_omp -1.587430783005918e+01 2.486899575160351e-14 3.132115333955102e-02 PASS