Match comparison for Exchange energy (match type 24299)

Commits > Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.164498139000000e+01 1.500000000000000e-06 -3.164498197037037e+01 6.645381661449780e-07 -3.164498127500000e+01 1.355000000202722e-06 PASS

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Detailed information

Reference: -31.644981389999998, precision: 0.0000015
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2022a_serial -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2023a_serial -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2022a_ppc -3.164497992000000e+01 1.469999997283367e-06 9.799999981889110e-01 PASS
spack_foss-2022a_cuda_serial -3.164498179000000e+01 -4.000000011217253e-07 -2.666666674144835e-01 PASS
spack_foss-2022a_mpi_min -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
spack_foss-2023a_mpi_min -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
cmake_foss_2022a_full_mpi -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
spack_foss-2023a_mpi_opt -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
spack_foss-2023a_serial_debug -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
cmake_foss_2022a_full_serial -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2022a_mpi -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
spack_foss-2023a_mpi -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
cmake_foss_2022a_min_mpi -3.164498189000000e+01 -5.000000022903350e-07 -3.333333348602234e-01 PASS
cmake_foss_2022a_min_serial -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.164498179000000e+01 -4.000000011217253e-07 -2.666666674144835e-01 PASS
spack_foss-2023a_mpi_debug -3.164498263000000e+01 -1.240000003122077e-06 -8.266666687480513e-01 PASS
spack_foss-2023a_mpi_omp -3.164498252000000e+01 -1.130000001126064e-06 -7.533333340840423e-01 PASS
spack_foss-2023a_serial_min -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2023a_serial_opt -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2023b_serial -3.164498187000000e+01 -4.800000006355276e-07 -3.200000004236851e-01 PASS
spack_foss-2023a_serial_omp -3.164498215000000e+01 -7.600000024865494e-07 -5.066666683243662e-01 PASS
spack_intel-2023a_serial -3.164498249000000e+01 -1.100000002196566e-06 -7.333333347977107e-01 PASS
spack_intel-2022a_serial_omp -3.164498008000000e+01 1.309999998255762e-06 8.733333321705079e-01 PASS
spack_intel-2023a_serial_omp -3.164498213000000e+01 -7.400000008317420e-07 -4.933333338878280e-01 PASS
spack_intel-2023a_impi -3.164498173000000e+01 -3.400000032627304e-07 -2.266666688418202e-01 PASS
spack_intel-2022a_impi_omp -3.164498147000000e+01 -8.000000306651600e-08 -5.333333537767733e-02 PASS