Match comparison for Energy [step 0] (match type 12075)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
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 | -3.184210032772105e+02 | 5.168278815073562e-11 | -3.184210032771816e+02 | 6.059508450562134e-11 | PASS |
Checks for this match
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Detailed information
Reference: -318.42100327724, precision: 0.000000000159Run | 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_opt | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | 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 |
spack_foss-2022a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
spack_foss-2023a_mpi_min | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
spack_foss-2022a_serial_debug | -3.184210032771210e+02 | 1.190301190945320e-10 | 7.486171012234716e-01 | PASS |
spack_foss-2022a_mpi_opt | -3.184210032772393e+02 | 7.389644451905042e-13 | 4.647575126984303e-03 | PASS |
spack_intel-2022a_serial_omp | -3.184210032772399e+02 | 5.684341886080801e-14 | 3.575057789987925e-04 | PASS |
spack_foss-2022a_mpi | -3.184210032772406e+02 | -6.252776074688882e-13 | -3.932563568986718e-03 | PASS |
spack_foss-2022a_cuda_serial | -3.184210032772401e+02 | -5.684341886080801e-14 | -3.575057789987925e-04 | PASS |
spack_intel-2023a_impi | -3.184210032772402e+02 | -2.273736754432321e-13 | -1.430023115995170e-03 | PASS |
spack_foss-2022a_mpi_debug | -3.184210032772422e+02 | -2.160049916710705e-12 | -1.358521960195412e-02 | PASS |
spack_foss-2022a_cuda_mpi_omp | -3.184210032772403e+02 | -3.410605131648481e-13 | -2.145034673992755e-03 | PASS |
spack_intel-2022a_impi_omp | -3.184210032772411e+02 | -1.080024958355352e-12 | -6.792609800977059e-03 | PASS |