Match comparison for Multipoles [step 20] (match type 30240)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020306920872538e+00 | 6.190000000000000e-07 | -2.020306835855024e+00 | 4.147132101325561e-07 | -2.020307427525541e+00 | 9.438613255419170e-07 | FAIL |
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Detailed information
Reference: -2.020306920872538, precision: 0.000000619| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.020306711832459e+00 | 2.090400785803581e-07 | 3.377061043301423e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_ppc | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| spack_foss-2022a_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| spack_foss-2023a_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020306499350012e+00 | 4.215225262171884e-07 | 6.809733864574934e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.020307343631606e+00 | -4.227590677530202e-07 | -6.829710302956707e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020306636749094e+00 | 2.841234443273777e-07 | 4.590039488325972e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020306500537214e+00 | 4.203353238807495e-07 | 6.790554505343287e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_mpi | -2.020306705530446e+00 | 2.153420917139215e-07 | 3.478870625426841e-01 | PASS |
| spack_foss-2023a_mpi | -2.020306710385630e+00 | 2.104869083474625e-07 | 3.400434706744144e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.020306588058074e+00 | 3.328144644321185e-07 | 5.376647244460718e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020307064711891e+00 | -1.438393528729875e-07 | -2.323737526219508e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020306483664215e+00 | 4.372083228787460e-07 | 7.063139303372310e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020306571595136e+00 | 3.492774016677913e-07 | 5.642607458284189e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.020306519340523e+00 | 4.015320147487955e-07 | 6.486785375586357e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
| spack_foss-2023b_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
| spack_intel-2023a_serial | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.020306511461410e+00 | 4.094111276664592e-07 | 6.614073144853944e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.020306530928417e+00 | 3.899441209931354e-07 | 6.299581922344675e-01 | PASS |
| spack_intel-2023a_impi | -2.020306528899653e+00 | 3.919728848167381e-07 | 6.332356782176706e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.020306515099246e+00 | 4.057732923001822e-07 | 6.555303591279196e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.020306649278182e+00 | 2.715943554498779e-07 | 4.387630944262970e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -2.020306599204411e+00 | 3.216681268014554e-07 | 5.196577169651945e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -2.020306613432047e+00 | 3.074404908431916e-07 | 4.966728446578216e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020306507626198e+00 | 4.132463402584108e-07 | 6.676031345047023e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.020306524604368e+00 | 3.962681698332915e-07 | 6.401747493268036e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.020307355037169e+00 | -4.341646309136138e-07 | -7.013968189234472e-01 | PASS |