Match comparison for External energy (match type 26102)

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.632415143850000e+02 4.830000000000000e-06 -1.632415152362500e+02 1.392407428362918e-06 -1.632415153950000e+02 2.385000001936532e-06 PASS

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Detailed information

Reference: -163.24151438500002, precision: 0.00000483
Run Value Difference Relative difference Status
eb_foss-2022a_ppc -1.632415130100000e+02 1.375000010739313e-06 2.846790912503754e-01 PASS
cmake_foss_2022a_full_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
cmake_foss_2022a_min_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
cmake_foss_2022a_full_mpi -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
eb_fosscuda-2022a -1.632415169400000e+02 -2.554999980475259e-06 -5.289855032039873e-01 PASS
cmake_foss_2022a_min_mpi -1.632415144600000e+02 -7.499997423110472e-08 -1.552794497538400e-02 PASS
eb_foss-2022a_debug -1.632415154000000e+02 -1.014999980952780e-06 -2.101449235927080e-01 PASS
eb_foss-2022b_libxc6 -1.632415151700000e+02 -7.849999974496313e-07 -1.625258793891576e-01 PASS
eb_intel-2022a -1.632415177800000e+02 -3.394999993133752e-06 -7.028985493030541e-01 PASS
eb_foss-2022b_libxc6_mpi -1.632415156700000e+02 -1.284999996187253e-06 -2.660455478648556e-01 PASS
intel-2022b -1.632415177800000e+02 -3.394999993133752e-06 -7.028985493030541e-01 PASS
eb_intel-2022a_omp -1.632415138500000e+02 5.350000265025301e-07 1.107660510357205e-01 PASS
eb_foss-2022a_mpi_debug -1.632415156800000e+02 -1.294999975698374e-06 -2.681159369975930e-01 PASS
eb_intel-2022a_impi -1.632415157200000e+02 -1.334999979007989e-06 -2.763975111817783e-01 PASS
spack_foss-2022a_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2022a_mpi -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.632415153800000e+02 -9.949999935088272e-07 -2.060041394428213e-01 PASS
spack_foss-2022a_serial_min -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
intel-2022b_impi -1.632415157200000e+02 -1.334999979007989e-06 -2.763975111817783e-01 PASS
spack_foss-2022a_serial_debug -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2022a_serial_omp -1.632415150700000e+02 -6.849999749647395e-07 -1.418219409864885e-01 PASS
spack_foss-2022a_serial_opt -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2022a_mpi_omp -1.632415167900000e+02 -2.404999975169630e-06 -4.979296014843955e-01 PASS
eb_intel-2022a_omp_impi -1.632415165300000e+02 -2.144999996289698e-06 -4.440993781138091e-01 PASS