Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
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 | -3.184210032772282e+02 | 3.642205153373972e-11 | -3.184210032771821e+02 | 6.113509698479902e-11 | PASS |
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Detailed information
Reference: -318.4210032771824, precision: 0.0000000000969| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.184210032772386e+02 | -5.621814125333913e-11 | -5.801665764018485e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_opt | -3.184210032772392e+02 | -5.672973202308640e-11 | -5.854461509090444e-01 | PASS |
| intel-2022a | -3.184210032772422e+02 | -5.979927664157003e-11 | -6.171235979522192e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772404e+02 | -5.798028723802418e-11 | -5.983517774821897e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_omp | -3.184210032772388e+02 | -5.633182809106074e-11 | -5.813398151812255e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772397e+02 | -5.729816621169448e-11 | -5.913123448059286e-01 | PASS |
| eb_fosscuda-2022a | -3.184210032772411e+02 | -5.871925168321468e-11 | -6.059778295481392e-01 | PASS |
| intel-2022a_impi | -3.184210032772407e+02 | -5.826450433232822e-11 | -6.012848744306317e-01 | PASS |
| eb_foss-2022a | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184210032772417e+02 | -5.923084245296195e-11 | -6.112574040553349e-01 | PASS |
| eb_foss-2022a_debug | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.184210032772412e+02 | -5.877609510207549e-11 | -6.065644489378276e-01 | PASS |
| eb_foss-2022a_mpi | -3.184210032772415e+02 | -5.911715561524034e-11 | -6.100841652759581e-01 | PASS |
| foss-2022a_mpi_omp | -3.184210032772398e+02 | -5.735500963055529e-11 | -5.918989641956170e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184210032772384e+02 | -5.593392415903509e-11 | -5.772334794534065e-01 | PASS |
| intel-2022b | -3.184210032772422e+02 | -5.979927664157003e-11 | -6.171235979522192e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184210032772419e+02 | -5.951505954726599e-11 | -6.141905010037770e-01 | PASS |
| spack_foss-2022a_serial | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| intel-2022a_omp | -3.184210032772399e+02 | -5.752553988713771e-11 | -5.936588223646823e-01 | PASS |
| spack_foss-2022a_mpi | -3.184210032772394e+02 | -5.695710569852963e-11 | -5.877926284677981e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184210032771210e+02 | 6.144773578853346e-11 | 6.341355602531833e-01 | PASS |
| intel-2022b_impi | -3.184210032772432e+02 | -6.082245818106458e-11 | -6.276827469666107e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.184210032772395e+02 | -5.712763595511205e-11 | -5.895524866368633e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| spack_foss-2022a_mpi_omp | -3.184210032772398e+02 | -5.741185304941610e-11 | -5.924855835853055e-01 | PASS |
| intel-2022a_omp_impi | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |