Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
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 | -3.184088237668680e+02 | 7.217924430336413e-11 | -3.184088237668216e+02 | 8.850520316627808e-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-2023a_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-2023a_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 |
| 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 |
| spack_foss-2022a_mpi_min | -3.184088237669090e+02 | -8.776623872108757e-11 | -7.978748974644325e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669047e+02 | -8.344613888766617e-11 | -7.586012626151470e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184088237669076e+02 | -8.640199666842818e-11 | -7.854726969857108e-01 | PASS |
| spack_foss-2022a_mpi | -3.184088237669092e+02 | -8.799361239653081e-11 | -7.999419308775528e-01 | PASS |
| spack_foss-2023a_mpi | -3.184088237669084e+02 | -8.719780453247949e-11 | -7.927073139316319e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669049e+02 | -8.367351256310940e-11 | -7.606682960282672e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184088237669089e+02 | -8.770939530222677e-11 | -7.973581391111525e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184088237668988e+02 | -7.753442332614213e-11 | -7.048583938740194e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184088237669089e+02 | -8.765255188336596e-11 | -7.968413807578724e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-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 | -3.184088237669084e+02 | -8.719780453247949e-11 | -7.927073139316319e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184088237669101e+02 | -8.890310709830374e-11 | -8.082100645300340e-01 | PASS |