Match comparison for Exchange energy (match type 24299)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.164526574000000e+01 1.580000000000000e-07 -3.164526580192982e+01 5.145049040389781e-08 -3.164526574500000e+01 9.500000075490789e-08 PASS
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Detailed information

Reference: -31.64526574, precision: 0.000000158
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -3.164526570000000e+01 3.999999975690116e-08 2.531645554234250e-01 PASS
cmake_foss_2022a_full_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2022a_ppc -3.164526570000000e+01 3.999999975690116e-08 2.531645554234250e-01 PASS
spack_foss-2023a_serial_opt -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
cmake_foss_2022a_min_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
cmake_foss_2022a_min_mpi -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
cmake_foss_2022a_full_mpi -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_foss-2022a_mpi -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_foss-2022a_mpi_min -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_foss-2022a_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2022a_serial_min -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_mpi_min -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_foss-2023a_mpi -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_foss-2023a_serial_min -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_mpi_opt -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_serial_debug -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023b_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_serial_omp -3.164526583000000e+01 -9.000000034120603e-08 -5.696202553240888e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.164526583000000e+01 -9.000000034120603e-08 -5.696202553240888e-01 PASS
spack_foss-2023a_mpi_debug -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_intel-2022a_serial_omp -3.164526581000000e+01 -7.000000223911229e-08 -4.430379888551411e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
spack_foss-2023a_mpi_omp -3.164526565000000e+01 9.000000034120603e-08 5.696202553240888e-01 PASS
spack_intel-2023a_serial -3.164526578000000e+01 -3.999999975690116e-08 -2.531645554234250e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.164526578000000e+01 -3.999999975690116e-08 -2.531645554234250e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.164526581000000e+01 -7.000000223911229e-08 -4.430379888551411e-01 PASS
spack_intel-2023a_impi -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -3.164526572000000e+01 1.999999810209374e-08 1.265822664689477e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.164526565000000e+01 9.000000034120603e-08 5.696202553240888e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_intel-2023a_serial_omp -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
spack_intel-2022a_impi_omp -3.164526580000000e+01 -6.000000141170858e-08 -3.797468443779024e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.164526580000000e+01 -6.000000141170858e-08 -3.797468443779024e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.164526580000000e+01 -6.000000141170858e-08 -3.797468443779024e-01 PASS
spack_foss-2022a_cuda_serial -3.164526584000000e+01 -1.000000011686097e-07 -6.329113998013275e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.164526582000000e+01 -7.999999951380232e-08 -5.063291108468501e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.164526581000000e+01 -7.000000223911229e-08 -4.430379888551411e-01 PASS