Match comparison for Energy [step 0] (match type 12075)

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Input 14-fullerene_unpacked.03-td-packed.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184210032772400e+02 1.590000000000000e-10 -3.184210032772139e+02 4.972830010952720e-11 -3.184210032771819e+02 6.093614501878619e-11 PASS

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Detailed information

Reference: -318.42100327724, precision: 0.000000000159
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2023a_serial_min -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2022a_serial -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2023a_serial_opt -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
spack_foss-2023a_serial -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2023b_serial -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2022a_ppc -3.184210032772396e+02 3.979039320256561e-13 2.502540452991548e-03 PASS
spack_foss-2023a_mpi_min -3.184210032772399e+02 5.684341886080801e-14 3.575057789987925e-04 PASS
spack_foss-2022a_mpi_min -3.184210032772399e+02 5.684341886080801e-14 3.575057789987925e-04 PASS
spack_foss-2022a_cuda_serial -3.184210032772401e+02 -5.684341886080801e-14 -3.575057789987925e-04 PASS
spack_foss-2023a_mpi_opt -3.184210032772419e+02 -1.875832822406664e-12 -1.179769070696015e-02 PASS
spack_foss-2023a_serial_omp -3.184210032772386e+02 1.421085471520200e-12 8.937644474969813e-03 PASS
spack_foss-2023a_serial_debug -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2022a_mpi -3.184210032772400e+02 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -3.184210032772410e+02 -9.663381206337363e-13 -6.077598242979473e-03 PASS
spack_foss-2022a_cuda_mpi_omp -3.184210032772416e+02 -1.591615728102624e-12 -1.001016181196619e-02 PASS
spack_foss-2023a_mpi_debug -3.184210032772413e+02 -1.307398633798584e-12 -8.222632916972230e-03 PASS
spack_foss-2023a_mpi_omp -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
cmake_foss_2022a_min_serial -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
cmake_foss_2022a_full_serial -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
cmake_foss_2022a_min_mpi -3.184210032772425e+02 -2.501110429875553e-12 -1.573025427594687e-02 PASS
cmake_foss_2022a_full_mpi -3.184210032772371e+02 2.899014361901209e-12 1.823279472893842e-02 PASS
spack_intel-2023a_serial -3.184210032772428e+02 -2.842170943040401e-12 -1.787528894993963e-02 PASS
spack_intel-2022a_serial_omp -3.184210032772399e+02 5.684341886080801e-14 3.575057789987925e-04 PASS
spack_intel-2022a_impi_omp -3.184210032772416e+02 -1.591615728102624e-12 -1.001016181196619e-02 PASS
spack_intel-2023a_serial_omp -3.184210032772404e+02 -3.979039320256561e-13 -2.502540452991548e-03 PASS
spack_intel-2023a_impi -3.184210032772409e+02 -9.094947017729282e-13 -5.720092463980681e-03 PASS