Match comparison for Benzene Multipoles [step 20] (match type 23477)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094606330454323e-02 | 1.540000000000000e-14 | -2.094606330454066e-02 | 7.305780425896360e-15 | -2.094606330454357e-02 | 1.400615734503674e-14 | PASS |
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Detailed information
Reference: -0.020946063304543232, precision: 0.0000000000000154| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.094606330455758e-02 | -1.434616314632819e-14 | -9.315690354758568e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.094606330454779e-02 | -4.562322741819003e-15 | -2.962547234947405e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.094606330454779e-02 | -4.562322741819003e-15 | -2.962547234947405e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.094606330454779e-02 | -4.562322741819003e-15 | -2.962547234947405e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.094606330454779e-02 | -4.562322741819003e-15 | -2.962547234947405e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.094606330452957e-02 | 1.366615154374529e-14 | 8.874124379055381e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.094606330455179e-02 | -8.559125630469566e-15 | -5.557873786019200e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.094606330455179e-02 | -8.559125630469566e-15 | -5.557873786019200e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.094606330453782e-02 | 5.408867798095685e-15 | 3.512251816945250e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.094606330455066e-02 | -7.428085924132688e-15 | -4.823432418267979e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.094606330453869e-02 | 4.544975507059235e-15 | 2.951282796791711e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094606330453317e-02 | 1.006486560761743e-14 | 6.535627017933400e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.094606330453869e-02 | 4.538036613155327e-15 | 2.946777021529434e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094606330453422e-02 | 9.013623181175490e-15 | 5.853002065698371e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.094606330454546e-02 | -2.230854390106174e-15 | -1.448606746822191e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094606330455294e-02 | -9.710982018518166e-15 | -6.305832479557251e-01 | PASS |