Match comparison for X Force Atom 1 [step 30] (match type 14064)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 19-td_move_ions.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.580386417602335e+01 1.580000000000000e-13 -1.580386417602337e+01 1.317801640872607e-14 -1.580386417602335e+01 2.930988785010413e-14 PASS
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Detailed information

Reference: -15.80386417602335, precision: 0.000000000000158
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
cmake_foss_2022a_full_serial -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_serial_min -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2022a_serial_min -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2022a_ppc -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2022a_serial -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
spack_foss-2023a_serial -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
cmake_foss_2022a_min_mpi -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2022a_mpi_min -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_mpi_min -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
cmake_foss_2022a_full_mpi -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_mpi_opt -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
cmake_foss_2022a_min_serial -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
spack_foss-2023a_serial_debug -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2022a_mpi -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_mpi -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2023a_mpi_debug -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_mpi_omp -1.580386417602336e+01 -1.243449787580175e-14 -7.869935364431489e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.580386417602334e+01 5.329070518200751e-15 3.372829441899210e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -1.580386417602332e+01 2.842170943040401e-14 1.798842369012912e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_foss-2023a_serial_opt -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
spack_foss-2023a_serial_omp -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.580386417602338e+01 -3.019806626980426e-14 -1.911270017076219e-01 PASS
spack_foss-2023b_serial -1.580386417602337e+01 -2.309263891220326e-14 -1.461559424822991e-01 PASS
spack_intel-2023a_serial -1.580386417602332e+01 2.842170943040401e-14 1.798842369012912e-01 PASS
spack_intel-2022a_serial_omp -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_intel-2023a_serial_omp -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.580386417602333e+01 1.598721155460225e-14 1.011848832569763e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
spack_intel-2023a_impi -1.580386417602336e+01 -7.105427357601002e-15 -4.497105922532280e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.580386417602336e+01 -1.243449787580175e-14 -7.869935364431489e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
spack_intel-2022a_impi_omp -1.580386417602336e+01 -1.243449787580175e-14 -7.869935364431489e-02 PASS
spack_foss-2022a_cuda_serial -1.580386417602333e+01 1.598721155460225e-14 1.011848832569763e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.580386417602337e+01 -1.776356839400250e-14 -1.124276480633070e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.580386417602334e+01 5.329070518200751e-15 3.372829441899210e-02 PASS