Match comparison for Energy [step 0] (match type 29345)

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Input 24-adsic_freeze_orbitals.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.002259026478495e+00 1.000000000000000e-04 -2.002259026478495e+00 4.479581372914158e-15 -2.002259026478495e+00 1.043609643147647e-14 PASS
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Detailed information

Reference: -2.002259026478495, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2023a_serial_min -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2023a_serial_opt -2.002259026478494e+00 8.881784197001252e-16 8.881784197001252e-12 PASS
spack_foss-2023a_serial -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2023b_serial -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2022a_ppc -2.002259026478496e+00 -1.332267629550188e-15 -1.332267629550188e-11 PASS
spack_foss-2023a_mpi_min -2.002259026478491e+00 3.552713678800501e-15 3.552713678800501e-11 PASS
spack_foss-2023a_serial_debug -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_intel-2022a_serial_omp -2.002259026478506e+00 -1.065814103640150e-14 -1.065814103640150e-10 PASS
spack_foss-2023a_serial_omp -2.002259026478494e+00 1.332267629550188e-15 1.332267629550188e-11 PASS
spack_foss-2023a_mpi_opt -2.002259026478492e+00 3.108624468950438e-15 3.108624468950438e-11 PASS
cmake_foss_2022a_full_mpi -2.002259026478492e+00 3.108624468950438e-15 3.108624468950438e-11 PASS
spack_foss-2023a_mpi -2.002259026478491e+00 3.552713678800501e-15 3.552713678800501e-11 PASS
spack_intel-2023a_impi -2.002259026478502e+00 -6.661338147750939e-15 -6.661338147750939e-11 PASS
spack_foss-2023a_mpi_debug -2.002259026478491e+00 3.552713678800501e-15 3.552713678800501e-11 PASS
spack_foss-2022a_cuda_mpi_omp -2.002259026478499e+00 -3.996802888650564e-15 -3.996802888650564e-11 PASS
spack_foss-2023a_mpi_omp -2.002259026478497e+00 -2.220446049250313e-15 -2.220446049250313e-11 PASS
cmake_foss_2022a_min_serial -2.002259026478494e+00 8.881784197001252e-16 8.881784197001252e-12 PASS
cmake_foss_2022a_full_serial -2.002259026478494e+00 8.881784197001252e-16 8.881784197001252e-12 PASS
cmake_foss_2022a_min_mpi -2.002259026478496e+00 -8.881784197001252e-16 -8.881784197001252e-12 PASS
spack_foss-2022a_serial -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2022a_mpi_min -2.002259026478491e+00 3.552713678800501e-15 3.552713678800501e-11 PASS
spack_intel-2022a_impi_omp -2.002259026478503e+00 -8.437694987151190e-15 -8.437694987151190e-11 PASS
spack_intel-2023a_serial -2.002259026478497e+00 -1.776356839400250e-15 -1.776356839400250e-11 PASS
spack_foss-2022a_mpi -2.002259026478491e+00 3.552713678800501e-15 3.552713678800501e-11 PASS
spack_intel-2023a_serial_omp -2.002259026478504e+00 -9.325873406851315e-15 -9.325873406851315e-11 PASS
spack_foss-2023a_valgrind -2.002259026478485e+00 1.021405182655144e-14 1.021405182655144e-10 PASS
spack_foss-2022a_cuda_serial -2.002259026478500e+00 -4.884981308350689e-15 -4.884981308350689e-11 PASS