Match comparison for Total force (match type 23757)

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Input 10-intersite.01-Na2.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.994932000000000e-17 4.100000000000000e-16 1.020425541176472e-18 9.392993849619854e-17 7.459310940000002e-17 1.665334536000000e-16 PASS

Checks for this match

  • GPU 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: -0.000000000000000019949320000000002, precision: 0.00000000000000041
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -3.642919300000000e-17 -1.647987300000000e-17 -4.019481219512195e-02 PASS
spack_foss-2022a_serial_min -3.642919300000000e-17 -1.647987300000000e-17 -4.019481219512195e-02 PASS
spack_foss-2022a_serial -3.642919300000000e-17 -1.647987300000000e-17 -4.019481219512195e-02 PASS
spack_foss-2022a_serial_opt -8.153200340000001e-17 -6.158268340000001e-17 -1.502016668292683e-01 PASS
spack_foss-2022a_ppc 7.459310950000000e-17 9.454242950000000e-17 2.305912914634146e-01 PASS
spack_foss-2022a_mpi_min -4.683753390000000e-17 -2.688821390000000e-17 -6.558100951219512e-02 PASS
spack_foss-2023a_mpi_min -4.683753390000000e-17 -2.688821390000000e-17 -6.558100951219512e-02 PASS
spack_foss-2022a_serial_debug -3.642919300000000e-17 -1.647987300000000e-17 -4.019481219512195e-02 PASS
spack_foss-2022a_mpi_opt -9.194034420000000e-17 -7.199102420000001e-17 -1.755878639024391e-01 PASS
spack_intel-2022a_serial_omp 3.989863990000000e-17 5.984795990000000e-17 1.459706339024390e-01 PASS
spack_foss-2022a_mpi -4.683753390000000e-17 -2.688821390000000e-17 -6.558100951219512e-02 PASS
spack_foss-2022a_cuda_serial 2.411265630000000e-16 2.610758830000000e-16 6.367704463414634e-01 PASS
spack_intel-2023a_impi -1.561251130000000e-17 4.336808700000000e-18 1.057758219512195e-02 PASS
spack_foss-2022a_mpi_debug -4.683753390000000e-17 -2.688821390000000e-17 -6.558100951219512e-02 PASS
spack_foss-2022a_cuda_mpi_omp 2.081668170000000e-16 2.281161370000000e-16 5.563808219512195e-01 PASS
spack_intel-2022a_impi_omp 6.418476860000000e-17 8.413408860000000e-17 2.052050941463415e-01 PASS
spack_foss-2022a_valgrind -8.847089730000001e-17 -6.852157730000001e-17 -1.671257982926830e-01 PASS