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

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > 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 -3.184210032772140e+02 4.970367270515034e-11 -3.184210032771819e+02 6.093614501878619e-11 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -318.42100327724, precision: 0.000000000159
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
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-2023a_serial -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-2022a_ppc -3.184210032772396e+02 3.979039320256561e-13 2.502540452991548e-03 PASS
cmake_foss_2022a_min_serial -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
cmake_foss_2022a_min_mpi -3.184210032772388e+02 1.193711796076968e-12 7.507621358974644e-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
cmake_foss_2022a_full_mpi -3.184210032772414e+02 -1.364242052659392e-12 -8.580138695971021e-03 PASS
spack_foss-2023a_serial_debug -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2023a_mpi_opt -3.184210032772382e+02 1.762145984685048e-12 1.108267914896257e-02 PASS
spack_foss-2022a_mpi -3.184210032772397e+02 2.842170943040401e-13 1.787528894993963e-03 PASS
spack_foss-2023a_mpi -3.184210032772417e+02 -1.648459146963432e-12 -1.036766759096498e-02 PASS
spack_foss-2022a_cuda_serial -3.184210032772401e+02 -5.684341886080801e-14 -3.575057789987925e-04 PASS
spack_foss-2022a_cuda_mpi_omp -3.184210032772419e+02 -1.875832822406664e-12 -1.179769070696015e-02 PASS
spack_foss-2023a_mpi_debug -3.184210032772415e+02 -1.477928890381008e-12 -9.295150253968607e-03 PASS
spack_foss-2023a_mpi_omp -3.184210032772420e+02 -1.989519660128281e-12 -1.251270226495774e-02 PASS
spack_foss-2023a_serial_opt -3.184210032772406e+02 -6.252776074688882e-13 -3.932563568986718e-03 PASS
spack_foss-2023b_serial -3.184210032771210e+02 1.190301190945320e-10 7.486171012234716e-01 PASS
spack_foss-2023a_serial_omp -3.184210032772386e+02 1.421085471520200e-12 8.937644474969813e-03 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-2023a_serial_omp -3.184210032772404e+02 -3.979039320256561e-13 -2.502540452991548e-03 PASS
spack_intel-2023a_impi -3.184210032772401e+02 -5.684341886080801e-14 -3.575057789987925e-04 PASS
spack_intel-2022a_impi_omp -3.184210032772421e+02 -2.103206497849897e-12 -1.322771382295532e-02 PASS