Match comparison for Energy [step 0] (match type 12071)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
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 | -3.184210032772267e+02 | 3.819313566083036e-11 | -3.184210032771816e+02 | 6.062350621505175e-11 | PASS |
Checks do not indicate problems with this match.
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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 |
| foss-2022a_opt | -3.184210032772392e+02 | -5.672973202308640e-11 | -5.854461509090444e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184210032772385e+02 | -5.604761099675670e-11 | -5.784067182327833e-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 |
| spack_foss-2022a_serial_omp | -3.184210032772395e+02 | -5.712763595511205e-11 | -5.895524866368633e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184210032772403e+02 | -5.786660040030256e-11 | -5.971785387028128e-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 | -3.184210032772419e+02 | -5.945821612840518e-11 | -6.136038816140886e-01 | PASS |
| intel-2022a_impi | -3.184210032772419e+02 | -5.951505954726599e-11 | -6.141905010037770e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184210032772406e+02 | -5.820766091346741e-11 | -6.006982550409433e-01 | PASS |
| foss-2022a_mpi_omp | -3.184210032772401e+02 | -5.763922672485933e-11 | -5.948320611440592e-01 | PASS |
| eb_foss-2022a | -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_debug | -3.184210032772407e+02 | -5.832134775118902e-11 | -6.018714938203202e-01 | PASS |
| eb_foss-2022a_mpi | -3.184210032772393e+02 | -5.684341886080801e-11 | -5.866193896884212e-01 | PASS |
| intel-2022a_omp_impi | -3.184210032772389e+02 | -5.644551492878236e-11 | -5.825130539606023e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184210032772410e+02 | -5.854872142663226e-11 | -6.042179713790738e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184210032772416e+02 | -5.917399903410114e-11 | -6.106707846656465e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.184210032772419e+02 | -5.945821612840518e-11 | -6.136038816140886e-01 | PASS |