Match comparison for Energy [step 5] (match type 14078)

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Input 05-time_propagation.05-td_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.791008856893000e+01 1.900000000000000e-10 -3.791008856892496e+01 7.895708738681308e-14 -3.791008856892497e+01 1.350031197944190e-13 PASS
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Detailed information

Reference: -37.91008856893, precision: 0.00000000019
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2023a_mpi -3.791008856892505e+01 4.945377440890297e-12 2.602830232047525e-02 PASS
cmake_foss_2022a_full_mpi -3.791008856892505e+01 4.952482868247898e-12 2.606569930656789e-02 PASS
cmake_foss_2022a_min_serial -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
cmake_foss_2022a_full_serial -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
spack_foss-2023a_mpi_debug -3.791008856892505e+01 4.945377440890297e-12 2.602830232047525e-02 PASS
cmake_foss_2022a_min_mpi -3.791008856892498e+01 5.023537141823908e-12 2.643966916749426e-02 PASS
spack_foss-2022a_serial -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2022a_serial_min -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2022a_mpi -3.791008856892505e+01 4.945377440890297e-12 2.602830232047525e-02 PASS
spack_foss-2022a_mpi_min -3.791008856892505e+01 4.945377440890297e-12 2.602830232047525e-02 PASS
spack_foss-2023a_mpi_min -3.791008856892505e+01 4.945377440890297e-12 2.602830232047525e-02 PASS
spack_foss-2023a_mpi_opt -3.791008856892505e+01 4.952482868247898e-12 2.606569930656789e-02 PASS
spack_foss-2023a_serial -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2023a_serial_min -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2023a_serial_debug -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.791008856892500e+01 4.995115432393504e-12 2.629008122312371e-02 PASS
spack_foss-2023a_serial_opt -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
spack_foss-2023a_serial_omp -3.791008856892499e+01 5.009326287108706e-12 2.636487519530898e-02 PASS
spack_foss-2022a_cuda_serial -3.791008856892491e+01 5.094591415399918e-12 2.681363902842062e-02 PASS
spack_foss-2023a_mpi_omp -3.791008856892503e+01 4.966693722963100e-12 2.614049327875316e-02 PASS
spack_foss-2023b_serial -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_intel-2023a_serial -3.791008856892510e+01 4.895639449387090e-12 2.576652341782679e-02 PASS
spack_intel-2022a_serial_omp -3.791008856892493e+01 5.066169705969514e-12 2.666405108405008e-02 PASS
spack_intel-2023a_serial_omp -3.791008856892493e+01 5.066169705969514e-12 2.666405108405008e-02 PASS
spack_intel-2023a_impi -3.791008856892484e+01 5.158540261618327e-12 2.715021190325436e-02 PASS
spack_intel-2022a_impi_omp -3.791008856892483e+01 5.165645688975928e-12 2.718760888934699e-02 PASS