Match comparison for Hartree energy (match type 30379)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.266259827000000e+01 3.630000000000000e-07 2.266259512000000e+01 0.000000000000000e+00 2.266259512000000e+01 0.000000000000000e+00 FAIL

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Detailed information

Reference: 22.66259827, precision: 0.000000363
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-min: [foss2022a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-min: [foss2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2022a-serial, foss-min] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2022a-serial, foss-full] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
intel-serial: [intel2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-full: [foss2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-opt-full: [foss2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-min: [foss2023b-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-full: [foss2023b-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-ppc: [foss2022a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
intel_omp_autotools: [intel2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-omp-full: [foss2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-serial-debug: [foss2023a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
intel_omp_autotools: [intel2022a-serial] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-opt-full: [foss2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-full: [foss2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
intel_mpi_autotools: [intel2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-min: [foss2022a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-debug: [foss2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-min: [foss2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
foss-mpi-omp-full: [foss2023a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
intel_mpi_omp_autotools: [intel2022a-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL
cuda-serial: [foss2022a-cuda-mpi] 2.266259512000000e+01 -3.150000001284070e-06 -8.677685953950606e+00 FAIL