Match comparison for Multipoles [step 1] (match type 17469)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 03-td_self_consistent.02-etrs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.341800490096620e-15 5.950000000000000e-15 -2.803205471788632e-15 2.923148174572628e-15 -2.251964545017197e-15 4.521958796180423e-15 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.00000000000000234180049009662, precision: 0.00000000000000595
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
spack_foss-2022a_serial_min -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2022a_serial -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2022a_ppc -2.010532426579160e-15 3.312680635174601e-16 5.567530479285043e-02 PASS
spack_foss-2022a_mpi_min -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.015563994801691e-15 -6.737635047050712e-16 -1.132375638159784e-01 PASS
cmake_foss_2022a_full_mpi -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS
spack_foss-2022a_mpi -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
cmake_foss_2022a_min_serial 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
spack_foss-2023a_mpi -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
cmake_foss_2022a_min_mpi -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.124996599381327e-16 2.029300830158487e-15 3.410589630518466e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.265011533024829e-15 1.076788957071791e-15 1.809729339616455e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.712848612944740e-16 2.513085351391094e-15 4.223672859480830e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.712848612944740e-16 2.513085351391094e-15 4.223672859480830e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.656120309249595e-15 3.997920799346215e-15 6.719194620749941e-01 PASS
spack_foss-2023a_mpi_debug -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -2.010532426579160e-15 3.312680635174601e-16 5.567530479285043e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2023a_mpi_min -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2023a_serial -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.403086406422728e-15 -1.061285916326109e-15 -1.783673808951443e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -6.459416253832076e-15 -4.117615763735456e-15 -6.920362628126817e-01 PASS
spack_foss-2023a_mpi_opt -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS
spack_foss-2023a_serial_debug -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2023a_serial_min -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2023a_serial_opt 8.522949192105514e-16 3.194095409307171e-15 5.368227578667515e-01 PASS
spack_foss-2023a_mpi_omp -3.403086406422728e-15 -1.061285916326109e-15 -1.783673808951443e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.179415939911443e-15 3.521216430008063e-15 5.918010806736240e-01 PASS
spack_foss-2023b_serial -5.292114768867644e-15 -2.950314278771024e-15 -4.958511392892477e-01 PASS
spack_foss-2023a_serial_omp -1.265011533024829e-15 1.076788957071791e-15 1.809729339616455e-01 PASS
spack_intel-2023a_serial -3.124996599381327e-16 2.029300830158487e-15 3.410589630518466e-01 PASS
spack_intel-2022a_serial_omp 1.712848612944740e-16 2.513085351391094e-15 4.223672859480830e-01 PASS
spack_intel-2023a_serial_omp 1.712848612944740e-16 2.513085351391094e-15 4.223672859480830e-01 PASS
spack_intel-2023a_impi 1.656120309249595e-15 3.997920799346215e-15 6.719194620749941e-01 PASS
spack_intel-2022a_impi_omp 1.179415939911443e-15 3.521216430008063e-15 5.918010806736240e-01 PASS
spack_foss-2022a_cuda_mpi_omp 5.111380069200422e-16 2.852938497016662e-15 4.794854616834726e-01 PASS
spack_foss-2023a_valgrind -6.773923341197620e-15 -4.432122851101000e-15 -7.448945968236975e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] 2.269994251163226e-15 4.611794741259846e-15 7.750915531529153e-01 PASS
spack_foss-2022a_cuda_serial -3.015563994801691e-15 -6.737635047050712e-16 -1.132375638159784e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.841942370113189e-15 4.998581199834305e-16 8.400976806444210e-02 PASS