Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
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 | -3.184088237668676e+02 | 7.192548498951863e-11 | -3.184088237668224e+02 | 8.924416761146858e-11 | PASS |
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011| Run | Value | Difference | Relative difference | Status |
| spack_intel-2023a_impi | -3.184088237669116e+02 | -9.038103598868474e-11 | -8.216457817153159e-01 | PASS |
| spack_foss-2022a_ppc | -3.184088237669055e+02 | -8.429879017057829e-11 | -7.663526379143480e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669083e+02 | -8.708411769475788e-11 | -7.916737972250717e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669070e+02 | -8.577671906095929e-11 | -7.797883550996300e-01 | PASS |
| spack_foss-2022a_mpi | -3.184088237668989e+02 | -7.764811016386375e-11 | -7.058919105805795e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| 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 |
| spack_foss-2022a_cuda_mpi_omp | -3.184088237669076e+02 | -8.640199666842818e-11 | -7.854726969857108e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| spack_foss-2023a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184088237669043e+02 | -8.310507837450132e-11 | -7.555007124954666e-01 | PASS |
| spack_foss-2023a_mpi | -3.184088237669023e+02 | -8.111555871437304e-11 | -7.374141701306640e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184088237669056e+02 | -8.435563358943909e-11 | -7.668693962676282e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.184088237669073e+02 | -8.606093615526333e-11 | -7.823721468660304e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184088237669077e+02 | -8.651568350614980e-11 | -7.865062136922709e-01 | PASS |
| spack_foss-2023b_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184088237669035e+02 | -8.230927051045001e-11 | -7.482660955495455e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184088237669079e+02 | -8.662937034387141e-11 | -7.875397303988311e-01 | PASS |
| spack_intel-2023a_serial | -3.184088237668998e+02 | -7.861444828449748e-11 | -7.146768025863408e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184088237669044e+02 | -8.316192179336213e-11 | -7.560174708487466e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-01 | PASS |