Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184088237668212e+02 | 1.100000000000000e-10 | -3.184088237668682e+02 | 7.224247756043844e-11 | -3.184088237668234e+02 | 9.029577086039353e-11 | PASS |
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2022a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| spack_foss-2022a_ppc | -3.184088237669055e+02 | -8.429879017057829e-11 | -7.663526379143480e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669039e+02 | -8.265033102361485e-11 | -7.513666456692260e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669069e+02 | -8.571987564209849e-11 | -7.792715967463499e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-01 | PASS |
| spack_foss-2023a_mpi | -3.184088237669068e+02 | -8.560618880437687e-11 | -7.782380800397898e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184088237669097e+02 | -8.850520316627808e-11 | -8.045927560570735e-01 | PASS |
| spack_foss-2022a_mpi | -3.184088237669055e+02 | -8.424194675171748e-11 | -7.658358795610680e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184088237669072e+02 | -8.600409273640253e-11 | -7.818553885127503e-01 | PASS |
| spack_foss-2023a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184088237669064e+02 | -8.515144145349041e-11 | -7.741040132135492e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184088237669080e+02 | -8.674305718159303e-11 | -7.885732471053912e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| spack_foss-2023b_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184088237669073e+02 | -8.606093615526333e-11 | -7.823721468660304e-01 | PASS |
| spack_intel-2023a_serial | -3.184088237668998e+02 | -7.861444828449748e-11 | -7.146768025863408e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184088237669079e+02 | -8.662937034387141e-11 | -7.875397303988311e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184088237669043e+02 | -8.310507837450132e-11 | -7.555007124954666e-01 | PASS |
| spack_intel-2023a_impi | -3.184088237669137e+02 | -9.248424248653464e-11 | -8.407658407866786e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184088237669055e+02 | -8.424194675171748e-11 | -7.658358795610680e-01 | PASS |