Match comparison for Hartree energy (match type 30379)

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.266259827000000e+01 3.630000000000000e-07 2.266259819759999e+01 1.489504614647026e-07 2.266259834500000e+01 2.549999997825125e-07 PASS

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Detailed information

Reference: 22.66259827, precision: 0.000000363
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] 2.266259830000000e+01 2.999999892949745e-08 8.264462515013071e-02 PASS
foss-opt-full: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-full: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-full: [foss2023b-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] 2.266259829000000e+01 1.999999810209374e-08 5.509641350439047e-02 PASS
foss-ppc: [foss2022a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
intel_omp_autotools: [intel2022a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-min: [foss2023a-serial] 2.266259810000000e+01 -1.699999998550084e-07 -4.683195588292241e-01 PASS
intel_omp_autotools: [intel2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-min: [foss2023b-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-serial-debug: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-omp-full: [foss2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-mpi-full: [foss2023a-mpi] 2.266259829000000e+01 1.999999810209374e-08 5.509641350439047e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 2.266259830000000e+01 2.999999892949745e-08 8.264462515013071e-02 PASS
foss-mpi-debug: [foss2023a-mpi] 2.266259829000000e+01 1.999999810209374e-08 5.509641350439047e-02 PASS
foss-mpi-min: [foss2023a-mpi] 2.266259831000000e+01 3.999999975690116e-08 1.101928367958710e-01 PASS
intel-serial: [intel2023a-serial] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 2.266259831000000e+01 3.999999975690116e-08 1.101928367958710e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 2.266259857000000e+01 2.999999999531155e-07 8.264462808625772e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 2.266259860000000e+01 3.299999988826130e-07 9.090909060127079e-01 PASS
foss-serial-min: [foss2022a-serial] 2.266259810000000e+01 -1.699999998550084e-07 -4.683195588292241e-01 PASS
foss-mpi-min: [foss2022a-mpi] 2.266259831000000e+01 3.999999975690116e-08 1.101928367958710e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 2.266259809000000e+01 -1.800000006824121e-07 -4.958677704749643e-01 PASS