Match comparison for H2 Electrons (match type 15307)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.853378781759887e+00 | 1.850000000000000e-14 | 1.853378781759890e+00 | 2.044137374870521e-15 | 1.853378781759887e+00 | 5.329070518200751e-15 | PASS |
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Detailed information
Reference: 1.853378781759887, precision: 0.0000000000000185| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.853378781759891e+00 | 4.440892098500626e-15 | 2.400482215405744e-01 | PASS |
| spack_foss-2022a_ppc | 1.853378781759882e+00 | -5.107025913275720e-15 | -2.760554547716605e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.853378781759891e+00 | 4.440892098500626e-15 | 2.400482215405744e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.853378781759889e+00 | 2.220446049250313e-15 | 1.200241107702872e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.853378781759889e+00 | 2.220446049250313e-15 | 1.200241107702872e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_foss-2022a_mpi | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_foss-2022a_serial | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2022a_serial_min | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2023a_mpi | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_foss-2023a_serial_min | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2023a_serial | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.853378781759889e+00 | 2.220446049250313e-15 | 1.200241107702872e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.853378781759891e+00 | 4.440892098500626e-15 | 2.400482215405744e-01 | PASS |
| spack_foss-2023b_serial | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.853378781759892e+00 | 4.884981308350689e-15 | 2.640530436946318e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.853378781759888e+00 | 1.332267629550188e-15 | 7.201446646217231e-02 | PASS |
| spack_foss-2023a_mpi_omp | 1.853378781759891e+00 | 3.552713678800501e-15 | 1.920385772324595e-01 | PASS |
| spack_intel-2023a_serial | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |
| spack_intel-2023a_impi | 1.853378781759885e+00 | -1.998401444325282e-15 | -1.080216996932585e-01 | PASS |
| spack_foss-2023a_valgrind | 1.853378781759893e+00 | 5.551115123125783e-15 | 3.000602769257180e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.853378781759890e+00 | 2.664535259100376e-15 | 1.440289329243446e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.853378781759888e+00 | 1.332267629550188e-15 | 7.201446646217231e-02 | PASS |
| spack_intel-2022a_impi_omp | 1.853378781759889e+00 | 2.442490654175344e-15 | 1.320265218473159e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.853378781759891e+00 | 3.774758283725532e-15 | 2.040409883094882e-01 | PASS |