Match comparison for Total energy (match type 15669)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 13-libvdwxc_h2o.01-vdwdfcx.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.712085937000000e+01 8.560000000000000e-08 -1.712085937000000e+01 0.000000000000000e+00 -1.712085937000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -17.120859369999998, precision: 0.0000000856
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2022a_ppc -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
cmake_foss_2022a_full_mpi -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2022a_mpi -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2022a_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_mpi -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_mpi_opt -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_mpi_debug -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_serial_opt -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023b_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_serial_debug -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_serial_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_intel-2022a_serial_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_mpi_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_intel-2023a_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_intel-2023a_impi -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2023a_valgrind -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2022a_cuda_mpi_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_intel-2023a_serial_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_intel-2022a_impi_omp -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS
spack_foss-2022a_cuda_serial -1.712085937000000e+01 -3.552713678800501e-15 -4.150366447196847e-08 PASS