Match comparison for Total Energy (match type 29216)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 20-qedft-breit-2d.01-etac-px.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.998474443000000e+00 1.000000000000000e-04 2.998474439999999e+00 4.440892098500626e-16 2.998474440000000e+00 0.000000000000000e+00 PASS
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Detailed information

Reference: 2.998474443, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
cmake_foss_2022a_full_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_ppc 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_serial_opt 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
cmake_foss_2022a_min_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
cmake_foss_2022a_min_mpi 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
cmake_foss_2022a_full_mpi 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_mpi 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_mpi_min 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_min_autotools: [foss2022a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_min_autotools: [foss2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_serial_min 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_mpi_min 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_mpi 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_serial_min 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_mpi_opt 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_min_autotools: [foss2023b-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_serial_debug 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023b_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_serial_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_mpi_debug 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_autotools: [foss2022a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_autotools: [foss2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_intel-2022a_serial_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_autotools: [foss2023b-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2023a_mpi_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_intel-2023a_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_intel_autotools: [intel2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_intel-2023a_impi 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_intel-2023a_serial_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_intel-2022a_impi_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_cuda_mpi_omp 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
spack_foss-2022a_cuda_serial 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.998474440000000e+00 -3.000000248221113e-09 -3.000000248221113e-05 PASS