Match comparison for Partial charge 30 (match type 26810)

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > 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

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Detailed information

Reference: 4.064, precision: 0.0203
Run Value Difference Relative difference Status
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
cmake_foss_2022a_full_mpi 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
eb_foss-2022a 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_foss-2022a_debug 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_fosscuda-2022a 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_foss-2022a_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_foss-2022b_libxc6 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
foss-2022a_opt 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
foss-2022a_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022a 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_foss-2022b_libxc6_mpi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022b 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
eb_foss-2022a_mpi_debug 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_serial 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022a_omp 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
eb_fosscuda-2022a_mpi_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_serial_debug 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022a_impi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022b_impi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
foss-2022a_mpi_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
spack_foss-2022a_serial_omp 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS
intel-2022a_omp_impi 4.044000000000000e+00 -2.000000000000046e-02 -9.852216748768701e-01 PASS