Match comparison for X Force Atom 1 [step 10] (match type 14056)

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.591896466429590e+01 7.960000000000000e-13 -1.591896466429590e+01 3.243349208113331e-14 -1.591896466429590e+01 6.572520305780927e-14 PASS
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Detailed information

Reference: -15.9189646642959, precision: 0.000000000000796
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2022a_serial_min -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2023a_serial_opt -1.591896466429586e+01 3.907985046680551e-14 4.909528953116270e-02 PASS
spack_foss-2022a_serial -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2023b_serial -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2023a_serial -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2022a_ppc -1.591896466429583e+01 6.750155989720952e-14 8.480095464473557e-02 PASS
spack_foss-2022a_mpi_min -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_mpi_min -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_serial_omp -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_serial_debug -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2022a_cuda_serial -1.591896466429588e+01 2.131628207280301e-14 2.677924883517965e-02 PASS
spack_foss-2023a_mpi_opt -1.591896466429595e+01 -4.618527782440651e-14 -5.802170580955592e-02 PASS
spack_foss-2022a_mpi -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_mpi -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
cmake_foss_2022a_full_mpi -1.591896466429595e+01 -4.618527782440651e-14 -5.802170580955592e-02 PASS
spack_foss-2022a_cuda_mpi_omp -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_mpi_debug -1.591896466429593e+01 -3.019806626980426e-14 -3.793726918317118e-02 PASS
spack_foss-2023a_mpi_omp -1.591896466429596e+01 -6.394884621840902e-14 -8.033774650553896e-02 PASS
cmake_foss_2022a_min_serial -1.591896466429586e+01 3.907985046680551e-14 4.909528953116270e-02 PASS
cmake_foss_2022a_full_serial -1.591896466429586e+01 3.907985046680551e-14 4.909528953116270e-02 PASS
cmake_foss_2022a_min_mpi -1.591896466429590e+01 3.552713678800501e-15 4.463208139196609e-03 PASS
spack_intel-2023a_serial -1.591896466429593e+01 -2.486899575160351e-14 -3.124245697437626e-02 PASS
spack_intel-2022a_serial_omp -1.591896466429591e+01 -1.243449787580175e-14 -1.562122848718813e-02 PASS
spack_intel-2023a_serial_omp -1.591896466429591e+01 -1.243449787580175e-14 -1.562122848718813e-02 PASS
spack_intel-2023a_impi -1.591896466429593e+01 -2.486899575160351e-14 -3.124245697437626e-02 PASS
spack_intel-2022a_impi_omp -1.591896466429592e+01 -1.776356839400250e-14 -2.231604069598304e-02 PASS