Match comparison for X Force Atom 1 [step 40] (match type 14065)

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Input 19-td_move_ions.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.570779402524340e+01 1.600000000000000e-13 -1.570779402524340e+01 1.823471610830990e-14 -1.570779402524339e+01 4.263256414560601e-14 PASS
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Detailed information

Reference: -15.707794025243398, precision: 0.00000000000016
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.570779402524339e+01 8.881784197001252e-15 5.551115123125783e-02 PASS
cmake_foss_2022a_full_mpi -1.570779402524341e+01 -1.421085471520200e-14 -8.881784197001252e-02 PASS
cmake_foss_2022a_min_serial -1.570779402524339e+01 8.881784197001252e-15 5.551115123125783e-02 PASS
cmake_foss_2022a_min_mpi -1.570779402524344e+01 -3.730349362740526e-14 -2.331468351712829e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.570779402524340e+01 -1.776356839400250e-15 -1.110223024625157e-02 PASS
spack_foss-2022a_mpi -1.570779402524339e+01 3.552713678800501e-15 2.220446049250313e-02 PASS
spack_foss-2022a_mpi_min -1.570779402524339e+01 3.552713678800501e-15 2.220446049250313e-02 PASS
spack_foss-2022a_serial -1.570779402524341e+01 -8.881784197001252e-15 -5.551115123125783e-02 PASS
spack_foss-2022a_serial_min -1.570779402524341e+01 -8.881784197001252e-15 -5.551115123125783e-02 PASS
spack_foss-2023a_mpi -1.570779402524339e+01 3.552713678800501e-15 2.220446049250313e-02 PASS
spack_foss-2023a_mpi_min -1.570779402524339e+01 3.552713678800501e-15 2.220446049250313e-02 PASS
spack_foss-2022a_cuda_serial -1.570779402524339e+01 3.552713678800501e-15 2.220446049250313e-02 PASS
spack_foss-2023a_serial -1.570779402524341e+01 -8.881784197001252e-15 -5.551115123125783e-02 PASS
spack_foss-2023a_mpi_opt -1.570779402524341e+01 -1.421085471520200e-14 -8.881784197001252e-02 PASS
spack_foss-2023a_serial_min -1.570779402524341e+01 -8.881784197001252e-15 -5.551115123125783e-02 PASS
spack_foss-2023a_mpi_omp -1.570779402524338e+01 1.953992523340276e-14 1.221245327087672e-01 PASS
spack_foss-2023a_serial_opt -1.570779402524339e+01 8.881784197001252e-15 5.551115123125783e-02 PASS
spack_foss-2023a_serial_omp -1.570779402524344e+01 -3.730349362740526e-14 -2.331468351712829e-01 PASS
spack_foss-2023b_serial -1.570779402524341e+01 -8.881784197001252e-15 -5.551115123125783e-02 PASS
spack_intel-2023a_serial -1.570779402524337e+01 2.664535259100376e-14 1.665334536937735e-01 PASS
spack_intel-2022a_serial_omp -1.570779402524342e+01 -1.953992523340276e-14 -1.221245327087672e-01 PASS
spack_intel-2023a_impi -1.570779402524335e+01 4.796163466380676e-14 2.997602166487923e-01 PASS
spack_intel-2023a_serial_omp -1.570779402524342e+01 -1.953992523340276e-14 -1.221245327087672e-01 PASS
spack_intel-2022a_impi_omp -1.570779402524340e+01 -1.776356839400250e-15 -1.110223024625157e-02 PASS