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

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.591896337508855e+01 1.590000000000000e-13 -1.591896337508852e+01 2.345543516362991e-14 -1.591896337508854e+01 6.039613253960852e-14 PASS
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Detailed information

Reference: -15.918963375088548, precision: 0.000000000000159
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
cmake_foss_2022a_full_serial -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
spack_foss-2022a_serial -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2022a_ppc -1.591896337508860e+01 -5.506706202140776e-14 -3.463337234050803e-01 PASS
spack_foss-2022a_mpi_min -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.591896337508853e+01 1.953992523340276e-14 1.228926115308349e-01 PASS
cmake_foss_2022a_full_mpi -1.591896337508850e+01 4.796163466380676e-14 3.016455010302312e-01 PASS
spack_foss-2022a_mpi -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
cmake_foss_2022a_min_serial -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
spack_foss-2023a_mpi -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
cmake_foss_2022a_min_mpi -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.591896337508850e+01 4.796163466380676e-14 3.016455010302312e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.591896337508857e+01 -2.131628207280301e-14 -1.340646671245472e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_mpi_debug -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.591896337508860e+01 -5.506706202140776e-14 -3.463337234050803e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_mpi_min -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_serial -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.591896337508848e+01 6.572520305780927e-14 4.133660569673538e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.591896337508848e+01 6.572520305780927e-14 4.133660569673538e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.591896337508853e+01 1.953992523340276e-14 1.228926115308349e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
spack_foss-2023a_mpi_opt -1.591896337508850e+01 4.796163466380676e-14 3.016455010302312e-01 PASS
spack_foss-2023a_serial_debug -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_serial_min -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_serial_opt -1.591896337508850e+01 5.329070518200751e-14 3.351616678113680e-01 PASS
spack_foss-2023a_mpi_omp -1.591896337508853e+01 1.953992523340276e-14 1.228926115308349e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023b_serial -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_foss-2023a_serial_omp -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
spack_intel-2023a_serial -1.591896337508857e+01 -2.131628207280301e-14 -1.340646671245472e-01 PASS
spack_intel-2022a_serial_omp -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_intel-2023a_serial_omp -1.591896337508852e+01 3.019806626980426e-14 1.899249450931085e-01 PASS
spack_intel-2023a_impi -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
spack_intel-2022a_impi_omp -1.591896337508853e+01 1.421085471520200e-14 8.937644474969814e-02 PASS
spack_foss-2022a_cuda_mpi_omp -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
spack_foss-2022a_cuda_serial -1.591896337508853e+01 1.953992523340276e-14 1.228926115308349e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.591896337508851e+01 4.263256414560601e-14 2.681293342490944e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.591896337508850e+01 4.796163466380676e-14 3.016455010302312e-01 PASS