Match comparison for Force (match type 17157)

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Input 03-nlcc.01-Fatom.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.516677049999999e-15 4.650000000000000e-14 -1.982850528642857e-15 1.511916857727379e-14 -1.007713350000000e-14 3.444104360000000e-14 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.000000000000005516677049999999, precision: 0.0000000000000465
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2022a_serial -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2022a_cuda_serial -4.366537340000000e-14 -3.814869635000000e-14 -8.204020720430107e-01 PASS
spack_foss-2022a_ppc 3.050604480000000e-15 8.567281529999999e-15 1.842426135483871e-01 PASS
cmake_foss_2022a_full_serial -5.911011680000000e-15 -3.943346300000010e-16 -8.480314623655935e-03 PASS
spack_foss-2022a_mpi_min 5.291085240000000e-16 6.045785574000000e-15 1.300168940645161e-01 PASS
spack_foss-2023a_mpi_min 5.291085240000000e-16 6.045785574000000e-15 1.300168940645161e-01 PASS
cmake_foss_2022a_min_serial -5.911011680000000e-15 -3.943346300000010e-16 -8.480314623655935e-03 PASS
spack_foss-2022a_mpi 5.291085240000000e-16 6.045785574000000e-15 1.300168940645161e-01 PASS
spack_foss-2023a_serial -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2022a_cuda_mpi_omp -4.451817710000000e-14 -3.900150005000000e-14 -8.387419365591398e-01 PASS
spack_foss-2023a_mpi_debug 5.291085240000000e-16 6.045785574000000e-15 1.300168940645161e-01 PASS
spack_foss-2023a_mpi_opt -9.023500410000000e-15 -3.506823360000001e-15 -7.541555612903228e-02 PASS
spack_foss-2023a_serial_min -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2023a_serial_debug -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2023a_serial_opt -5.911011680000000e-15 -3.943346300000010e-16 -8.480314623655935e-03 PASS
spack_foss-2023a_mpi_omp -7.429519319999999e-15 -1.912842270000000e-15 -4.113639290322581e-02 PASS
spack_foss-2023b_serial -1.891782680000000e-15 3.624894369999999e-15 7.795471763440859e-02 PASS
spack_foss-2023a_serial_omp 3.346425680000000e-16 5.851319617999999e-15 1.258348304946237e-01 PASS
spack_intel-2023a_serial 2.436391010000000e-14 2.988058715000000e-14 6.425932720430108e-01 PASS
spack_intel-2022a_serial_omp 2.253248370000000e-14 2.804916075000000e-14 6.032077580645161e-01 PASS
spack_intel-2023a_serial_omp 2.168274420000000e-14 2.719942125000000e-14 5.849337903225806e-01 PASS
spack_intel-2022a_impi_omp 1.661572870000000e-14 2.213240575000000e-14 4.759657150537634e-01 PASS
spack_foss-2023a_valgrind -1.024306470000000e-14 -4.726387650000000e-15 -1.016427451612903e-01 PASS
spack_intel-2023a_impi 1.526489570000000e-14 2.078157275000000e-14 4.469155430107527e-01 PASS
spack_foss-2023a_mpi 5.291085240000000e-16 6.045785574000000e-15 1.300168940645161e-01 PASS
cmake_foss_2022a_full_mpi -9.023500410000000e-15 -3.506823360000001e-15 -7.541555612903228e-02 PASS
cmake_foss_2022a_min_mpi -9.023500410000000e-15 -3.506823360000001e-15 -7.541555612903228e-02 PASS