Match comparison for Hartree energy (match type 30359)

Commits > Commit 008ad309696fa333cadd72656d8ad6622d802226 > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788829093031251e+01 1.110907524842679e-06 8.788829032500000e+01 1.815000004512513e-06 PASS

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Detailed information

Reference: 87.88829173, precision: 0.0000141
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 8.788829158000000e+01 -1.500000053056283e-07 -1.063829824862612e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 8.788829072999999e+01 -1.000000011686097e-06 -7.092198664440406e-02 PASS
foss-ppc: [foss2022a-serial] 8.788829128000000e+01 -4.500000017060302e-07 -3.191489373801632e-02 PASS
intel_omp_autotools: [intel2023a-serial] 8.788828870000000e+01 -3.030000002013367e-06 -2.148936171640685e-01 PASS
intel_omp_autotools: [intel2022a-serial] 8.788829140000000e+01 -3.300000059880404e-07 -2.340425574383265e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 8.788828857000000e+01 -3.160000005664187e-06 -2.241134755790204e-01 PASS
foss-serial-debug: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 8.788829072999999e+01 -1.000000011686097e-06 -7.092198664440406e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 8.788829129000000e+01 -4.400000079840538e-07 -3.120567432511020e-02 PASS
foss-serial-full: [foss2023a-serial] 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
foss-serial-full: [foss2023b-serial] 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
foss-serial-min: [foss2022a-serial] 8.788829028000001e+01 -1.449999999181273e-06 -1.028368793745584e-01 PASS
foss-serial-min: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss-serial-min: [foss2023b-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss-opt-full: [foss2023a-serial] 8.788829179000000e+01 5.999999075356754e-08 4.255318493160819e-03 PASS
foss_cmake: [foss2022a-serial, foss-min] 8.788829028000001e+01 -1.449999999181273e-06 -1.028368793745584e-01 PASS
intel-serial: [intel2023a-serial] 8.788828857000000e+01 -3.160000005664187e-06 -2.241134755790204e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 8.788829153000000e+01 -2.000000023372195e-07 -1.418439732888081e-02 PASS
foss-omp-full: [foss2023a-serial] 8.788829104000000e+01 -6.900000073528645e-07 -4.893617073424571e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] 8.788829214000000e+01 4.099999983964153e-07 2.907801407066775e-02 PASS
foss-mpi-full: [foss2023a-mpi] 8.788829214000000e+01 4.099999983964153e-07 2.907801407066775e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 8.788829147000000e+01 -2.600000073016417e-07 -1.843971682990367e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 8.788829214000000e+01 4.099999983964153e-07 2.907801407066775e-02 PASS
foss-mpi-debug: [foss2023a-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 PASS
foss-mpi-min: [foss2022a-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss-mpi-min: [foss2023a-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 8.788829186000000e+01 1.299999894399662e-07 9.219857407089797e-03 PASS
foss-mpi-omp-full: [foss2023a-mpi] 8.788829025000000e+01 -1.480000008768911e-06 -1.049645396290008e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 8.788829153000000e+01 -2.000000023372195e-07 -1.418439732888081e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 8.788828851000000e+01 -3.220000010628610e-06 -2.283687950800432e-01 PASS