Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184210032771824e+02 | 9.690000000000000e-11 | -3.184210032772270e+02 | 3.832561382699784e-11 | -3.184210032771837e+02 | 6.272671271290164e-11 | PASS |
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Detailed information
Reference: -318.4210032771824, precision: 0.0000000000969| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_ppc | -3.184210032772386e+02 | -5.621814125333913e-11 | -5.801665764018485e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_opt | -3.184210032772392e+02 | -5.672973202308640e-11 | -5.854461509090444e-01 | PASS |
| intel-2022b | -3.184210032772422e+02 | -5.979927664157003e-11 | -6.171235979522192e-01 | PASS |
| intel-2022a | -3.184210032772422e+02 | -5.979927664157003e-11 | -6.171235979522192e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772382e+02 | -5.582023732131347e-11 | -5.760602406740296e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.184210032772395e+02 | -5.712763595511205e-11 | -5.895524866368633e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| foss-2022a_omp | -3.184210032772388e+02 | -5.633182809106074e-11 | -5.813398151812255e-01 | PASS |
| eb_fosscuda-2022a | -3.184210032772411e+02 | -5.871925168321468e-11 | -6.059778295481392e-01 | PASS |
| intel-2022a_omp | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| intel-2022b_impi | -3.184210032772410e+02 | -5.854872142663226e-11 | -6.042179713790738e-01 | PASS |
| intel-2022a_impi | -3.184210032772422e+02 | -5.974243322270922e-11 | -6.165369785625308e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.184210032772423e+02 | -5.991296347929165e-11 | -6.182968367315960e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_mpi_omp | -3.184210032772424e+02 | -6.002665031701326e-11 | -6.194700755109728e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.184210032772412e+02 | -5.877609510207549e-11 | -6.065644489378276e-01 | PASS |
| eb_foss-2022a | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-01 | PASS |
| eb_foss-2022a_debug | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-01 | PASS |
| intel-2022a_omp_impi | -3.184210032772412e+02 | -5.877609510207549e-11 | -6.065644489378276e-01 | PASS |
| eb_foss-2022a_mpi | -3.184210032772409e+02 | -5.849187800777145e-11 | -6.036313519893854e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184210032772380e+02 | -5.559286364587024e-11 | -5.737137631152760e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184210032772464e+02 | -6.400568963726982e-11 | -6.605334327891623e-01 | PASS |