Match comparison for Energy [step 15] (match type 14083)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.790933797735690e+01 1.900000000000000e-12 -3.790933797735693e+01 5.962101704153499e-14 -3.790933797735693e+01 1.065814103640150e-13 PASS
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Detailed information

Reference: -37.9093379773569, precision: 0.0000000000019
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -3.790933797735689e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2022a_serial -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc -3.790933797735686e+01 4.263256414560601e-14 2.243819165558211e-02 PASS
spack_foss-2023a_mpi_min -3.790933797735701e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
cmake_foss_2022a_min_serial -3.790933797735689e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2022a_mpi_min -3.790933797735701e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
spack_foss-2023a_mpi -3.790933797735701e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
cmake_foss_2022a_full_mpi -3.790933797735698e+01 -8.526512829121202e-14 -4.487638331116423e-02 PASS
spack_foss-2022a_mpi -3.790933797735701e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
cmake_foss_2022a_min_mpi -3.790933797735695e+01 -4.973799150320701e-14 -2.617789026484580e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.790933797735697e+01 -7.105427357601002e-14 -3.739698609263685e-02 PASS
spack_foss-2023a_mpi_debug -3.790933797735701e+01 -1.136868377216160e-13 -5.983517774821896e-02 PASS
spack_foss-2023a_serial -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -3.790933797735698e+01 -8.526512829121202e-14 -4.487638331116423e-02 PASS
spack_foss-2022a_cuda_serial -3.790933797735691e+01 -7.105427357601002e-15 -3.739698609263685e-03 PASS
spack_foss-2023a_serial_debug -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -3.790933797735689e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2023a_mpi_omp -3.790933797735700e+01 -9.947598300641403e-14 -5.235578052969159e-02 PASS
spack_foss-2023b_serial -3.790933797735690e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -3.790933797735704e+01 -1.421085471520200e-13 -7.479397218527370e-02 PASS
spack_intel-2023a_serial -3.790933797735683e+01 7.105427357601002e-14 3.739698609263685e-02 PASS
spack_intel-2022a_serial_omp -3.790933797735688e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_intel-2023a_serial_omp -3.790933797735688e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
spack_intel-2023a_impi -3.790933797735688e+01 2.131628207280301e-14 1.121909582779106e-02 PASS
spack_intel-2022a_impi_omp -3.790933797735687e+01 2.842170943040401e-14 1.495879443705474e-02 PASS