Match comparison for Energy [step 20] (match type 30242)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184094654954693e+02 | 1.330000000000000e-11 | -3.184094654954717e+02 | 6.277811400521375e-12 | -3.184094654954746e+02 | 1.415401129634120e-11 | FAIL |
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Detailed information
Reference: -318.4094654954693, precision: 0.0000000000133| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184094654954729e+02 | -3.581135388230905e-12 | -2.692582998669854e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_ppc | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| spack_foss-2022a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| spack_foss-2023a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.184094654954769e+02 | -7.560174708487466e-12 | -5.684341886080801e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -1.465961854831365e+00 | FAIL |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.184094654954623e+02 | 7.048583938740194e-12 | 5.299687171985108e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184094654954724e+02 | -3.069544618483633e-12 | -2.307928284574160e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184094654954769e+02 | -7.560174708487466e-12 | -5.684341886080801e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_mpi | -3.184094654954698e+02 | -5.115907697472721e-13 | -3.846547140956933e-02 | PASS |
| spack_foss-2023a_mpi | -3.184094654954714e+02 | -2.103206497849897e-12 | -1.581358269060072e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184094654954741e+02 | -4.831690603168681e-12 | -3.632850077570437e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.184094654954724e+02 | -3.126388037344441e-12 | -2.350667697251459e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184094654954760e+02 | -6.707523425575346e-12 | -5.043250695921313e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.184094654954738e+02 | -4.490630090003833e-12 | -3.376413601506641e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.184094654954780e+02 | -8.697043085703626e-12 | -6.539130139626786e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -1.465961854831365e+00 | FAIL |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.184094654954627e+02 | 6.593836587853730e-12 | 4.957771870566714e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184094654954627e+02 | 6.593836587853730e-12 | 4.957771870566714e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| spack_foss-2023b_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_intel-2023a_serial | -3.184094654954738e+02 | -4.490630090003833e-12 | -3.376413601506641e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.184094654954678e+02 | 1.534772309241816e-12 | 1.153964142287080e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.184094654954779e+02 | -8.583356247982010e-12 | -6.453651314272189e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184094654954678e+02 | 1.534772309241816e-12 | 1.153964142287080e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184094654954773e+02 | -7.958078640513122e-12 | -5.983517774821896e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.184094654954780e+02 | -8.697043085703626e-12 | -6.539130139626786e-01 | PASS |
| spack_intel-2023a_impi | -3.184094654954768e+02 | -7.503331289626658e-12 | -5.641602473403502e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184094654954768e+02 | -7.446487870765850e-12 | -5.598863060726202e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.184094654954720e+02 | -2.728484105318785e-12 | -2.051491808510365e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.184094654954717e+02 | -2.387423592153937e-12 | -1.795055332446569e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.184094654954739e+02 | -4.604316927725449e-12 | -3.461892426861240e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184094654954773e+02 | -7.958078640513122e-12 | -5.983517774821896e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184094654954791e+02 | -9.833911462919787e-12 | -7.393918393172771e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184094654954656e+02 | 3.694822225952521e-12 | 2.778061824024452e-01 | PASS |