Match comparison for Partial charge 30 (match type 26810)

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.064000000000000e+00 2.030000000000000e-02 4.043999999999999e+00 8.881784197001252e-16 4.044000000000000e+00 0.000000000000000e+00 PASS

Checks for this match

  • 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: 4.064, precision: 0.0203
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
cmake_foss_2022a_full_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
cmake_foss_2022a_min_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_cuda_mpi_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
cmake_foss_2022a_min_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
cmake_foss_2022a_full_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_serial_min 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_mpi_min 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_mpi_min 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_mpi_debug 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_serial_min 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_cuda_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_mpi_opt 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_serial_debug 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_serial_opt 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023b_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_serial_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2023a_mpi_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_intel-2023a_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_intel-2022a_serial_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_intel-2023a_serial_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_intel-2023a_impi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_intel-2022a_impi_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS