Match comparison for Correlation energy (match type 30218)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.326966058000000e+01 6.630000000000000e-08 -1.326966058240741e+01 1.562704067461016e-08 -1.326966055500000e+01 4.500000017060302e-08 FAIL

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Detailed information

Reference: -13.26966058, precision: 0.0000000663
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2022a_serial_min -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2022a_ppc -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_serial -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_serial_opt -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023b_serial -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_mpi_min -1.326966057000000e+01 1.000000082740371e-08 1.508295750739624e-01 PASS
spack_foss-2022a_mpi_min -1.326966057000000e+01 1.000000082740371e-08 1.508295750739624e-01 PASS
spack_foss-2023a_serial_omp -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2022a_mpi -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_mpi_opt -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_serial_debug -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_mpi -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
spack_foss-2023a_mpi_omp -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -1.326966051000000e+01 7.000000046275545e-08 1.055806945139599e+00 FAIL
GCI_foss_mpi_autotools: [foss2022a-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -1.326966051000000e+01 7.000000046275545e-08 1.055806945139599e+00 FAIL
GCI_foss_mpi_autotools: [foss2023a-mpi] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
cmake_foss_2022a_full_serial -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
cmake_foss_2022a_min_mpi -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -1.326966057000000e+01 1.000000082740371e-08 1.508295750739624e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.326966060000000e+01 -1.999999987845058e-08 -3.016591233552123e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.326966059000000e+01 -1.000000082740371e-08 -1.508295750739624e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -1.326966058000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -1.326966057000000e+01 1.000000082740371e-08 1.508295750739624e-01 PASS