Match comparison for Multipoles [step 20] (match type 30240)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
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 | -2.020306823421484e+00 | 4.210452309744509e-07 | -2.020307428406934e+00 | 9.429799319171650e-07 | FAIL |
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Detailed information
Reference: -2.020306920872538, precision: 0.000000619Run | Value | Difference | Relative difference | Status |
cmake_foss_2022a_full_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
spack_foss-2022a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2022a_serial | -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_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
cmake_foss_2022a_full_mpi | -2.020306485427002e+00 | 4.354455356292419e-07 | 7.034661318727656e-01 | PASS |
spack_foss-2022a_mpi | -2.020306526475991e+00 | 3.943965469765942e-07 | 6.371511259718807e-01 | PASS |
cmake_foss_2022a_min_serial | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
spack_foss-2023a_mpi | -2.020306885008842e+00 | 3.586369601293882e-08 | 5.793811956856029e-02 | PASS |
cmake_foss_2022a_min_mpi | -2.020306509757161e+00 | 4.111153768526776e-07 | 6.641605441884937e-01 | PASS |
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.020306504737497e+00 | 4.161350410925024e-07 | 6.722698563691477e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
GCI_foss_opt_autotools: [foss2023a-serial] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
GCI_intel_autotools: [intel2023a-serial] | -2.020306588622871e+00 | 3.322496664459607e-07 | 5.367522882810349e-01 | PASS |
GCI_foss_omp_autotools: [foss2023a-serial] | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-01 | PASS |
GCI_intel_omp_autotools: [intel2023a-serial] | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
GCI_intel_omp_autotools: [intel2022a-serial] | -2.020306521049204e+00 | 3.998233335522627e-07 | 6.459181479034939e-01 | PASS |
GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.020306539761475e+00 | 3.811110627083281e-07 | 6.156883080909985e-01 | PASS |
spack_foss-2023a_mpi_debug | -2.020307342303376e+00 | -4.214308377825660e-07 | -6.808252629766817e-01 | PASS |
GCI_foss_ppc_autotools: [foss2022a-serial] | -2.020306502335685e+00 | 4.185368527309663e-07 | 6.761500044119003e-01 | PASS |
GCI_foss_min_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
GCI_foss_min_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2023a_mpi_min | -2.020307090023016e+00 | -1.691504785128473e-07 | -2.732641009900602e-01 | PASS |
GCI_foss_min_autotools: [foss2023b-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
GCI_foss_autotools: [foss2022a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
GCI_foss_autotools: [foss2023a-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_debug_autotools: [foss2023a-serial] | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2023a_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.020308371386866e+00 | -1.450514328205088e-06 | -2.343318785468640e+00 | FAIL |
GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.020306490400303e+00 | 4.304722347470147e-07 | 6.954317201082628e-01 | PASS |
GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.020306548509212e+00 | 3.723633259511416e-07 | 6.015562616335083e-01 | PASS |
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.020306489677019e+00 | 4.311955192903838e-07 | 6.966001927146749e-01 | PASS |
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.020306509138310e+00 | 4.117342280451908e-07 | 6.651603037886765e-01 | PASS |
spack_foss-2023a_mpi_opt | -2.020306698518258e+00 | 2.223542803214684e-07 | 3.592153155435677e-01 | PASS |
spack_foss-2023a_serial_debug | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2023a_serial_min | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2023a_serial_opt | -2.020307345165826e+00 | -4.242932880593742e-07 | -6.854495768325916e-01 | PASS |
spack_foss-2023a_mpi_omp | -2.020306506006266e+00 | 4.148662720027119e-07 | 6.702201486311985e-01 | PASS |
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.020306676839274e+00 | 2.440332638187215e-07 | 3.942379060076276e-01 | PASS |
spack_foss-2023b_serial | -2.020306723575932e+00 | 1.972966061636328e-07 | 3.187344202966603e-01 | PASS |
spack_foss-2023a_serial_omp | -2.020307331422782e+00 | -4.105502435791664e-07 | -6.632475663637583e-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 |
spack_intel-2023a_serial_omp | -2.020306834911076e+00 | 8.596146150452455e-08 | 1.388715048538361e-01 | PASS |
spack_intel-2023a_impi | -2.020306628727188e+00 | 2.921453496895765e-07 | 4.719634082222561e-01 | PASS |
spack_intel-2022a_impi_omp | -2.020306603558241e+00 | 3.173142966161890e-07 | 5.126240656158143e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -2.020306511833742e+00 | 4.090387957234043e-07 | 6.608058089231087e-01 | PASS |
spack_foss-2022a_cuda_serial | -2.020306507896946e+00 | 4.129755919457523e-07 | 6.671657381999229e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.020306526220332e+00 | 3.946522055819912e-07 | 6.375641447205027e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.020306509081692e+00 | 4.117908463108222e-07 | 6.652517710998743e-01 | PASS |