Match comparison for Energy [step 0] (match type 30237)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184216450128310e+02 | 6.500000000000000e-12 | -3.184216450128293e+02 | 2.902209676625441e-12 | -3.184216450128303e+02 | 6.650680006714538e-12 | FAIL |
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Detailed information
Reference: -318.421645012831, precision: 0.0000000000065| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184216450128303e+02 | 7.389644451905042e-13 | 1.136868377216160e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_ppc | -3.184216450128264e+02 | 4.604316927725449e-12 | 7.083564504192998e-01 | PASS |
| spack_foss-2022a_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.184216450128280e+02 | 3.012701199622825e-12 | 4.634924922496653e-01 | PASS |
| spack_foss-2023a_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184216450128293e+02 | 1.705302565824240e-12 | 2.623542408960370e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 1.136868377216160e+00 | FAIL |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184216450128283e+02 | 2.728484105318785e-12 | 4.197667854336592e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184216450128283e+02 | 2.728484105318785e-12 | 4.197667854336592e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.184216450128369e+02 | -5.911715561524034e-12 | -9.094947017729282e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.184216450128264e+02 | 4.604316927725449e-12 | 7.083564504192998e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184216450128284e+02 | 2.614797267597169e-12 | 4.022765027072567e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184216450128294e+02 | 1.591615728102624e-12 | 2.448639581696345e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_mpi | -3.184216450128278e+02 | 3.183231456205249e-12 | 4.897279163392690e-01 | PASS |
| spack_foss-2023a_mpi | -3.184216450128292e+02 | 1.818989403545856e-12 | 2.798445236224394e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184216450128275e+02 | 3.524291969370097e-12 | 5.421987645184765e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184216450128365e+02 | -5.513811629498377e-12 | -8.482787122305195e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184216450128277e+02 | 3.296918293926865e-12 | 5.072181990656714e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184216450128290e+02 | 1.989519660128281e-12 | 3.060799477120432e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.184216450128265e+02 | 4.490630090003833e-12 | 6.908661676928974e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.184216450128305e+02 | 4.547473508864641e-13 | 6.996113090560986e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.184216450128236e+02 | 7.389644451905042e-12 | 1.136868377216160e+00 | FAIL |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.184216450128337e+02 | -2.671640686457977e-12 | -4.110216440704579e-01 | PASS |
| spack_foss-2023b_serial | -3.184216450128287e+02 | 2.330580173293129e-12 | 3.585507958912506e-01 | PASS |
| spack_intel-2023a_serial | -3.184216450128265e+02 | 4.490630090003833e-12 | 6.908661676928974e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184216450128280e+02 | 3.012701199622825e-12 | 4.634924922496653e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.184216450128296e+02 | 1.421085471520200e-12 | 2.186285340800308e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.184216450128275e+02 | 3.467448550509289e-12 | 5.334536231552752e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184216450128296e+02 | 1.421085471520200e-12 | 2.186285340800308e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184216450128258e+02 | 5.229594535194337e-12 | 8.045530054145135e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.184216450128299e+02 | 1.080024958355352e-12 | 1.661576859008234e-01 | PASS |
| spack_intel-2023a_impi | -3.184216450128258e+02 | 5.229594535194337e-12 | 8.045530054145135e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184216450128273e+02 | 3.694822225952521e-12 | 5.684341886080801e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.184216450128298e+02 | 1.193711796076968e-12 | 1.836479686272259e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.184216450128281e+02 | 2.899014361901209e-12 | 4.460022095232629e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.184216450128293e+02 | 1.705302565824240e-12 | 2.623542408960370e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184216450128283e+02 | 2.671640686457977e-12 | 4.110216440704579e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184216450128258e+02 | 5.229594535194337e-12 | 8.045530054145135e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184216450128268e+02 | 4.149569576838985e-12 | 6.383953195136900e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184216450128359e+02 | -4.945377440890297e-12 | -7.608272985985073e-01 | PASS |