Match comparison for Partial charge 45 (match type 26813)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.007000000000000e+00 5.030000000000000e-03 1.006000000000000e+00 0.000000000000000e+00 1.006000000000000e+00 0.000000000000000e+00 PASS

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Detailed information

Reference: 1.007, precision: 0.00503
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_ppc 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
cmake_foss_2022a_min_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
cmake_foss_2022a_min_mpi 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
cmake_foss_2022a_full_mpi 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_mpi_min 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_mpi 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_serial_min 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_mpi 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_mpi_min 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_serial_min 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_mpi_opt 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_mpi_debug 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_serial_opt 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023b_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_serial_debug 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_serial_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_intel-2022a_serial_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2023a_mpi_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_intel-2023a_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_intel-2023a_impi 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_intel-2023a_serial_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_intel-2022a_impi_omp 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
spack_foss-2022a_cuda_serial 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS