Match comparison for Energy [step 10] (match type 14050)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.964441869043860e+01 1.480000000000000e-12 -2.964441869043873e+01 7.126449377966384e-14 -2.964441869043872e+01 1.545430450278218e-13 PASS

Checks for this match

    Intel® builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -29.6444186904386, precision: 0.00000000000148
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
cmake_foss_2022a_full_serial -2.964441869043873e+01 -1.350031197944190e-13 -9.121832418541827e-02 PASS
spack_foss-2022a_serial -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
spack_foss-2022a_ppc -2.964441869043876e+01 -1.598721155460225e-13 -1.080216996932585e-01 PASS
spack_foss-2023a_mpi_min -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
cmake_foss_2022a_min_serial -2.964441869043873e+01 -1.350031197944190e-13 -9.121832418541827e-02 PASS
spack_foss-2022a_mpi_min -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
spack_foss-2023a_mpi -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
cmake_foss_2022a_full_mpi -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
spack_foss-2022a_mpi -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
cmake_foss_2022a_min_mpi -2.964441869043887e+01 -2.735589532676386e-13 -1.848371305862423e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.964441869043880e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2023a_mpi_debug -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
spack_foss-2023a_serial -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
spack_foss-2023a_mpi_opt -2.964441869043878e+01 -1.811883976188255e-13 -1.224245929856929e-01 PASS
spack_foss-2022a_cuda_serial -2.964441869043867e+01 -7.460698725481052e-14 -5.041012652352062e-02 PASS
spack_foss-2023a_serial_debug -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
spack_foss-2023a_serial_min -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
spack_foss-2023a_serial_opt -2.964441869043873e+01 -1.350031197944190e-13 -9.121832418541827e-02 PASS
spack_foss-2023a_mpi_omp -2.964441869043880e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2023b_serial -2.964441869043871e+01 -1.101341240428155e-13 -7.441494867757806e-02 PASS
spack_foss-2023a_serial_omp -2.964441869043876e+01 -1.598721155460225e-13 -1.080216996932585e-01 PASS
spack_intel-2023a_serial -2.964441869043856e+01 3.552713678800501e-14 2.400482215405744e-02 PASS
spack_intel-2022a_serial_omp -2.964441869043860e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -2.964441869043860e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -2.964441869043863e+01 -3.197442310920451e-14 -2.160433993865169e-02 PASS
spack_intel-2022a_impi_omp -2.964441869043864e+01 -3.907985046680551e-14 -2.640530436946318e-02 PASS