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

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > 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 -3.791008856892495e+01 8.114406338263269e-14 -3.791008856892496e+01 1.421085471520200e-13 PASS
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Detailed information

Reference: -37.91008856893, precision: 0.00000000019
Run Value Difference Relative difference Status
eb_foss-2022a_ppc -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
cmake_foss_2022a_full_serial -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
cmake_foss_2022a_min_serial -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
cmake_foss_2022a_full_mpi -3.791008856892505e+01 4.952482868247898e-12 2.606569930656789e-02 PASS
eb_fosscuda-2022a -3.791008856892488e+01 5.123013124830322e-12 2.696322697279117e-02 PASS
cmake_foss_2022a_min_mpi -3.791008856892498e+01 5.023537141823908e-12 2.643966916749426e-02 PASS
eb_foss-2022a_debug -3.791008856892491e+01 5.094591415399918e-12 2.681363902842062e-02 PASS
eb_foss-2022b_libxc6 -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
eb_intel-2022a -3.791008856892510e+01 4.895639449387090e-12 2.576652341782679e-02 PASS
eb_foss-2022b_libxc6_mpi -3.791008856892503e+01 4.973799150320701e-12 2.617789026484580e-02 PASS
intel-2022b -3.791008856892510e+01 4.895639449387090e-12 2.576652341782679e-02 PASS
eb_intel-2022a_omp -3.791008856892491e+01 5.087485988042317e-12 2.677624204232799e-02 PASS
eb_foss-2022a_mpi_debug -3.791008856892501e+01 4.988010005035903e-12 2.625268423703107e-02 PASS
eb_intel-2022a_impi -3.791008856892485e+01 5.151434834260726e-12 2.711281491716172e-02 PASS
spack_foss-2022a_serial -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_cuda_mpi_omp -3.791008856892500e+01 4.995115432393504e-12 2.629008122312371e-02 PASS
spack_foss-2022a_serial_min -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
intel-2022b_impi -3.791008856892485e+01 5.151434834260726e-12 2.711281491716172e-02 PASS
spack_foss-2022a_serial_debug -3.791008856892489e+01 5.108802270115120e-12 2.688843300060590e-02 PASS
spack_foss-2022a_serial_omp -3.791008856892500e+01 5.002220859751105e-12 2.632747820921634e-02 PASS
spack_foss-2022a_serial_opt -3.791008856892490e+01 5.101696842757519e-12 2.685103601451326e-02 PASS
spack_foss-2022a_mpi_omp -3.791008856892501e+01 4.988010005035903e-12 2.625268423703107e-02 PASS
eb_intel-2022a_omp_impi -3.791008856892482e+01 5.179856543691130e-12 2.726240286153227e-02 PASS