Match comparison for Total energy (match type 26817)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > 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-2023a_mpi_debug -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_mpi_omp -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
cmake_foss_2022a_full_serial -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
cmake_foss_2022a_full_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_intel-2023a_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_intel-2022a_impi_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_intel-2022a_serial_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_intel-2023a_serial_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_intel-2023a_impi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial_min -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_serial_min -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_serial_opt -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023b_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_ppc -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_cuda_serial -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_mpi_min -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_mpi_min -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_serial_omp -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_serial_debug -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_mpi_opt -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2022a_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS
spack_foss-2023a_mpi -3.026901548400000e+02 2.600000016172999e-06 7.046070504533870e-02 PASS