Match comparison for Forces [step 1] (match type 17471)

Commits > Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d > Input 03-td_self_consistent.02-etrs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.537492460197621e-02 9.710000000000000e-15 8.537492460197603e-02 2.346472046470827e-15 8.537492460197882e-02 6.217248937900877e-15 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 0.08537492460197621, precision: 0.00000000000000971
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
spack_foss-2022a_serial 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
spack_foss-2023a_serial 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
spack_foss-2022a_ppc 8.537492460198504e-02 8.826273045769994e-15 9.089879552801230e-01 PASS
spack_foss-2022a_cuda_serial 8.537492460197926e-02 3.053113317719180e-15 3.144297958516148e-01 PASS
spack_foss-2022a_mpi_min 8.537492460197438e-02 -1.831867990631508e-15 -1.886578775109689e-01 PASS
spack_foss-2023a_mpi_min 8.537492460197438e-02 -1.831867990631508e-15 -1.886578775109689e-01 PASS
cmake_foss_2022a_full_mpi 8.537492460197704e-02 8.326672684688674e-16 8.575358068680405e-02 PASS
spack_foss-2023a_mpi_opt 8.537492460197704e-02 8.326672684688674e-16 8.575358068680405e-02 PASS
spack_foss-2023a_serial_debug 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
cmake_foss_2022a_full_serial 8.537492460197527e-02 -9.436895709313831e-16 -9.718739144504460e-02 PASS
spack_foss-2022a_mpi 8.537492460197438e-02 -1.831867990631508e-15 -1.886578775109689e-01 PASS
spack_foss-2023a_mpi 8.537492460197438e-02 -1.831867990631508e-15 -1.886578775109689e-01 PASS
cmake_foss_2022a_min_mpi 8.537492460197704e-02 8.326672684688674e-16 8.575358068680405e-02 PASS
cmake_foss_2022a_min_serial 8.537492460197527e-02 -9.436895709313831e-16 -9.718739144504460e-02 PASS
spack_foss-2022a_cuda_mpi_omp 8.537492460197926e-02 3.053113317719180e-15 3.144297958516148e-01 PASS
spack_foss-2023a_mpi_debug 8.537492460197438e-02 -1.831867990631508e-15 -1.886578775109689e-01 PASS
spack_foss-2023a_mpi_omp 8.537492460197837e-02 2.164934898019055e-15 2.229593097856905e-01 PASS
spack_foss-2023a_serial_min 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
spack_foss-2023a_serial_opt 8.537492460197527e-02 -9.436895709313831e-16 -9.718739144504460e-02 PASS
spack_foss-2023b_serial 8.537492460197482e-02 -1.387778780781446e-15 -1.429226344780068e-01 PASS
spack_foss-2023a_serial_omp 8.537492460197704e-02 8.326672684688674e-16 8.575358068680405e-02 PASS
spack_intel-2023a_serial 8.537492460197571e-02 -4.996003610813204e-16 -5.145214841208243e-02 PASS
spack_intel-2022a_serial_omp 8.537492460197615e-02 -5.551115123125783e-17 -5.716905379120270e-03 PASS
spack_intel-2023a_serial_omp 8.537492460197615e-02 -5.551115123125783e-17 -5.716905379120270e-03 PASS
spack_intel-2023a_impi 8.537492460197393e-02 -2.275957200481571e-15 -2.343931205439311e-01 PASS
spack_intel-2022a_impi_omp 8.537492460197749e-02 1.276756478318930e-15 1.314888237197662e-01 PASS
spack_foss-2023a_valgrind 8.537492460197260e-02 -3.608224830031759e-15 -3.715988496428176e-01 PASS