Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.995405000000000e-01 | 2.000000000000000e-06 | -3.995404342424242e-01 | 3.685354331398778e-07 | -3.995405000000000e-01 | 7.700000000110396e-07 | PASS |
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Detailed information
Reference: -0.3995405, precision: 0.000002| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.995408200000000e-01 | -3.199999999980996e-07 | -1.599999999990498e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.995406000000000e-01 | -1.000000000028756e-07 | -5.000000000143778e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.995408200000000e-01 | -3.199999999980996e-07 | -1.599999999990498e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.995404000000000e-01 | 1.000000000028756e-07 | 5.000000000143778e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.995407400000000e-01 | -2.399999999846969e-07 | -1.199999999923484e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.995407100000000e-01 | -2.100000000004876e-07 | -1.050000000002438e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.995401700000000e-01 | 3.300000000483472e-07 | 1.650000000241736e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.995404700000000e-01 | 3.000000003972048e-08 | 1.500000001986024e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.995404700000000e-01 | 3.000000003972048e-08 | 1.500000001986024e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.995408200000000e-01 | -3.199999999980996e-07 | -1.599999999990498e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.995397300000000e-01 | 7.700000000387952e-07 | 3.850000000193976e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.995408100000000e-01 | -3.100000000033631e-07 | -1.550000000016816e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.995397300000000e-01 | 7.700000000387952e-07 | 3.850000000193976e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.995398600000000e-01 | 6.399999999961992e-07 | 3.199999999980996e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.995398600000000e-01 | 6.399999999961992e-07 | 3.199999999980996e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.995404000000000e-01 | 1.000000000028756e-07 | 5.000000000143778e-02 | PASS |
| intel-serial: [intel2023a-serial] | -3.995401500000000e-01 | 3.500000000378201e-07 | 1.750000000189100e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.995404000000000e-01 | 1.000000000028756e-07 | 5.000000000143778e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.995403100000000e-01 | 1.900000000110147e-07 | 9.500000000550735e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.995403100000000e-01 | 1.900000000110147e-07 | 9.500000000550735e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.995403100000000e-01 | 1.900000000110147e-07 | 9.500000000550735e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.995412700000000e-01 | -7.699999999832841e-07 | -3.849999999916420e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.995406900000000e-01 | -1.899999999555035e-07 | -9.499999997775177e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.995407200000000e-01 | -2.199999999952240e-07 | -1.099999999976120e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.995407200000000e-01 | -2.199999999952240e-07 | -1.099999999976120e-01 | PASS |
| valgrind: [foss2023a-serial] | -3.995411200000000e-01 | -6.200000000067263e-07 | -3.100000000033631e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.995407300000000e-01 | -2.299999999899605e-07 | -1.149999999949802e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.995403400000000e-01 | 1.600000000268054e-07 | 8.000000001340268e-02 | PASS |