Match comparison for Hartree energy (match type 22801)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.242690683700000e+02 | 1.890000000000000e-05 | -5.242690777274074e+02 | 5.407237414648157e-07 | -5.242690782500000e+02 | 1.229999952556682e-06 | PASS |
Checks for this match
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Detailed information
Reference: -524.26906837, precision: 0.0000189| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -5.242690779000000e+02 | -9.529999942969880e-06 | -5.042328012153376e-01 | PASS |
| foss-2022a_ppc | -5.242690794800000e+02 | -1.110999994580197e-05 | -5.878306849630675e-01 | PASS |
| spack_foss-2022a_serial_min | -5.242690779000000e+02 | -9.529999942969880e-06 | -5.042328012153376e-01 | PASS |
| spack_foss-2022a_serial | -5.242690779000000e+02 | -9.529999942969880e-06 | -5.042328012153376e-01 | PASS |
| foss-2022a_opt | -5.242690778500000e+02 | -9.480000016992562e-06 | -5.015873024863789e-01 | PASS |
| intel-2022b | -5.242690770200001e+02 | -8.650000040688610e-06 | -4.576719598247942e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.242690778800001e+02 | -9.510000040791056e-06 | -5.031746053328601e-01 | PASS |
| intel-2022a | -5.242690770200001e+02 | -8.650000040688610e-06 | -4.576719598247942e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.242690778800001e+02 | -9.510000040791056e-06 | -5.031746053328601e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.242690775999999e+02 | -9.229999932358623e-06 | -4.883597847808796e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.242690779000000e+02 | -9.529999942969880e-06 | -5.042328012153376e-01 | PASS |
| foss-2022a_omp | -5.242690777399999e+02 | -9.369999929731421e-06 | -4.957671920492815e-01 | PASS |
| intel-2022a_omp | -5.242690773300000e+02 | -8.959999945545860e-06 | -4.740740711929027e-01 | PASS |
| intel-2022b_impi | -5.242690770299999e+02 | -8.659999934934604e-06 | -4.582010547584446e-01 | PASS |
| intel-2022a_impi | -5.242690770299999e+02 | -8.659999934934604e-06 | -4.582010547584446e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.242690779000000e+02 | -9.529999942969880e-06 | -5.042328012153376e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.242690773200000e+02 | -8.949999937613029e-06 | -4.735449702440757e-01 | PASS |
| eb_fosscuda-2022a | -5.242690775700000e+02 | -9.200000022246968e-06 | -4.867724879495751e-01 | PASS |
| foss-2022a_mpi_omp | -5.242690778899999e+02 | -9.519999935037049e-06 | -5.037037002665106e-01 | PASS |
| eb_foss-2022a | -5.242690778500000e+02 | -9.480000016992562e-06 | -5.015873024863789e-01 | PASS |
| eb_foss-2022b_libxc6 | -5.242690771300000e+02 | -8.760000014262914e-06 | -4.634920642467151e-01 | PASS |
| eb_foss-2022a_debug | -5.242690778500000e+02 | -9.480000016992562e-06 | -5.015873024863789e-01 | PASS |
| intel-2022a_omp_impi | -5.242690777800000e+02 | -9.409999961462745e-06 | -4.978835958445897e-01 | PASS |
| eb_foss-2022a_mpi | -5.242690778600000e+02 | -9.490000024925394e-06 | -5.021164034352060e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.242690772000000e+02 | -8.829999956105894e-06 | -4.671957648733278e-01 | PASS |
| eb_foss-2022a_mpi_debug | -5.242690778600000e+02 | -9.490000024925394e-06 | -5.021164034352060e-01 | PASS |
| eb_foss-2022a_valgrind | -5.242690789700000e+02 | -1.059999999597494e-05 | -5.608465606335947e-01 | PASS |