Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
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 | -3.184088237668681e+02 | 7.218329965520277e-11 | -3.184088237668212e+02 | 8.810729923425242e-11 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011Run | Value | Difference | Relative difference | Status |
cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
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-2023a_serial | -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_ppc | -3.184088237669055e+02 | -8.429879017057829e-11 | -7.663526379143480e-01 | PASS |
cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
cmake_foss_2022a_min_mpi | -3.184088237669081e+02 | -8.685674401931465e-11 | -7.896067638119514e-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 | -3.184088237669060e+02 | -8.481038094032556e-11 | -7.710034630938687e-01 | PASS |
spack_foss-2023a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
spack_foss-2023a_mpi_opt | -3.184088237669081e+02 | -8.691358743817545e-11 | -7.901235221652314e-01 | PASS |
spack_foss-2022a_mpi | -3.184088237669057e+02 | -8.446932042716071e-11 | -7.679029129741883e-01 | PASS |
spack_foss-2023a_mpi | -3.184088237669093e+02 | -8.810729923425242e-11 | -8.009754475841130e-01 | PASS |
spack_foss-2022a_cuda_serial | -3.184088237669064e+02 | -8.520828487235121e-11 | -7.746207715668293e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -3.184088237669063e+02 | -8.503775461576879e-11 | -7.730704965069890e-01 | PASS |
spack_foss-2023a_mpi_debug | -3.184088237669054e+02 | -8.412825991399586e-11 | -7.648023628545079e-01 | PASS |
spack_foss-2023a_mpi_omp | -3.184088237669074e+02 | -8.617462299298495e-11 | -7.834056635725904e-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 | -3.184088237669089e+02 | -8.770939530222677e-11 | -7.973581391111525e-01 | PASS |
spack_intel-2022a_impi_omp | -3.184088237669060e+02 | -8.481038094032556e-11 | -7.710034630938687e-01 | PASS |