Match comparison for By (x= 0,y= 0,z=3.02) [step 400] (match type 20981)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-2.963839696133850e-07 | 2.000000000000000e-10 | -2.963506002068346e-07 | 4.089794306516191e-21 | -2.963506002068365e-07 | 9.502650877009182e-21 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.00000029638396961338495, precision: 0.0000000002Run | Value | Difference | Relative difference | Status |
spack_foss-2023a_serial_min | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2023a_serial_opt | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2022a_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2022a_serial_min | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2022a_ppc | -2.963506002068300e-07 | 3.336940655492956e-11 | 1.668470327746478e-01 | PASS |
spack_foss-2023a_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2023b_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2022a_mpi_min | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_foss-2023a_mpi_min | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_foss-2023a_serial_omp | -2.963506002068460e-07 | 3.336940653894182e-11 | 1.668470326947091e-01 | PASS |
spack_foss-2023a_mpi_opt | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_foss-2022a_mpi | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_foss-2023a_mpi | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_foss-2023a_serial_debug | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_opt_autotools: [foss2023a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2023a_mpi_debug | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
GCI_intel_autotools: [intel2023a-serial] | -2.963506002068270e-07 | 3.336940655794712e-11 | 1.668470327897356e-01 | PASS |
GCI_intel_omp_autotools: [intel2023a-serial] | -2.963506002068290e-07 | 3.336940655593541e-11 | 1.668470327796771e-01 | PASS |
GCI_intel_omp_autotools: [intel2022a-serial] | -2.963506002068290e-07 | 3.336940655593541e-11 | 1.668470327796771e-01 | PASS |
GCI_foss_omp_autotools: [foss2023a-serial] | -2.963506002068460e-07 | 3.336940653894182e-11 | 1.668470326947091e-01 | PASS |
GCI_foss_ppc_autotools: [foss2022a-serial] | -2.963506002068300e-07 | 3.336940655492956e-11 | 1.668470327746478e-01 | PASS |
GCI_foss_min_autotools: [foss2022a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_min_autotools: [foss2023a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_min_autotools: [foss2023b-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_autotools: [foss2022a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_autotools: [foss2023b-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_autotools: [foss2023a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss_debug_autotools: [foss2023a-serial] | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
spack_foss-2023a_mpi_omp | -2.963506002068380e-07 | 3.336940654693569e-11 | 1.668470327346784e-01 | PASS |
GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.963506002068380e-07 | 3.336940654693569e-11 | 1.668470327346784e-01 | PASS |
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
cmake_foss_2022a_full_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
cmake_foss_2022a_min_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
cmake_foss_2022a_min_mpi | -2.963506002068350e-07 | 3.336940654995324e-11 | 1.668470327497662e-01 | PASS |
cmake_foss_2022a_full_mpi | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
spack_intel-2022a_impi_omp | -2.963506002068340e-07 | 3.336940655095910e-11 | 1.668470327547955e-01 | PASS |
spack_intel-2023a_serial | -2.963506002068270e-07 | 3.336940655794712e-11 | 1.668470327897356e-01 | PASS |
spack_intel-2022a_serial_omp | -2.963506002068290e-07 | 3.336940655593541e-11 | 1.668470327796771e-01 | PASS |
spack_intel-2023a_serial_omp | -2.963506002068290e-07 | 3.336940655593541e-11 | 1.668470327796771e-01 | PASS |
spack_intel-2023a_impi | -2.963506002068310e-07 | 3.336940655397665e-11 | 1.668470327698832e-01 | PASS |
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.963506002068350e-07 | 3.336940654995324e-11 | 1.668470327497662e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.963506002068380e-07 | 3.336940654693569e-11 | 1.668470327346784e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.963506002068380e-07 | 3.336940654693569e-11 | 1.668470327346784e-01 | PASS |
spack_foss-2022a_cuda_serial | -2.963506002068350e-07 | 3.336940654995324e-11 | 1.668470327497662e-01 | PASS |
GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.963506002068310e-07 | 3.336940655397665e-11 | 1.668470327698832e-01 | PASS |
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.963506002068340e-07 | 3.336940655095910e-11 | 1.668470327547955e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.963506002068350e-07 | 3.336940654995324e-11 | 1.668470327497662e-01 | PASS |