Match comparison for Total energy (match type 26817)

Commits > Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.026901574400000e+02 3.690000000000000e-05 -3.026901548400000e+02 0.000000000000000e+00 -3.026901548400000e+02 0.000000000000000e+00 PASS

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Detailed information

Reference: -302.69015744, precision: 0.0000369
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
foss-2022a_ppc -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial_opt -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
foss-2022a_opt -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022b -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022a -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
cmake_foss_2022a_full_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial_debug -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
foss-2022a_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_fosscuda-2022a -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
cmake_foss_2022a_full_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022a_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022b_impi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022a_impi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
cmake_foss_2022a_min_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
foss-2022a_mpi_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_fosscuda-2022a_mpi_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
cmake_foss_2022a_min_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022a -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022b_libxc6 -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022a_debug -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
intel-2022a_omp_impi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022a_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022b_libxc6_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
eb_foss-2022a_mpi_debug -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS