Match comparison for Hartree energy (match type 30359)

Commits > Commit 18848dd43b1805cec78813204483223eec09e06c > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788829091906250e+01 9.318173088050546e-07 8.788829035500001e+01 1.785000002030301e-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-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 8.788828857000000e+01 -3.160000005664187e-06 -2.241134755790204e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 8.788829072999999e+01 -1.000000011686097e-06 -7.092198664440406e-02 PASS
foss_min_autotools: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_min_autotools: [foss2022a-serial] 8.788829028000001e+01 -1.449999999181273e-06 -1.028368793745584e-01 PASS
foss_autotools: [foss2022a-serial] 8.788829028000001e+01 -1.449999999181273e-06 -1.028368793745584e-01 PASS
foss_autotools: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss_debug_autotools: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_min_autotools: [foss2023b-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_cmake: [foss2022a-serial, foss-min] 8.788829028000001e+01 -1.449999999181273e-06 -1.028368793745584e-01 PASS
foss_autotools: [foss2023b-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_opt_autotools: [foss2023a-serial] 8.788829164000001e+01 -9.000000034120603e-08 -6.382978747603264e-03 PASS
foss_cmake: [foss2022a-serial, foss-full] 8.788829153000000e+01 -2.000000023372195e-07 -1.418439732888081e-02 PASS
intel_autotools: [intel2023a-serial] 8.788829088000000e+01 -8.500000063804691e-07 -6.028368839577795e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 PASS
foss_omp_autotools: [foss2023a-serial] 8.788829104000000e+01 -6.900000073528645e-07 -4.893617073424571e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 8.788829143000000e+01 -3.000000106112566e-07 -2.127659649725224e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 8.788828988000000e+01 -1.850000003855712e-06 -1.312056740323200e-01 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
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: [foss2022a-mpi, foss-min-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss_mpi_debug_autotools: [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_autotools: [intel2023a-mpi] 8.788829129000000e+01 -4.400000079840538e-07 -3.120567432511020e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 8.788829025000000e+01 -1.480000008768911e-06 -1.049645396290008e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 8.788829186000000e+01 1.299999894399662e-07 9.219857407089797e-03 PASS