Match comparison for B3LYP Fock Eigenvalue dn (match type 12226)

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.379245000000000e-01 3.910000000000000e-05 -8.379545384615384e-01 1.891932420576388e-05 -8.379245000000000e-01 3.550000000002163e-05 PASS

Checks for this match

  • GPU builders have different values.
  • Intel® builders have different values.
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Detailed information

Reference: -0.8379245, precision: 0.0000391
Run Value Difference Relative difference Status
foss-2022a_ppc -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_full_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_min_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
cmake_foss_2022a_full_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_fosscuda-2022a -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
cmake_foss_2022a_min_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022a -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022a_debug -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022b_libxc6 -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022a_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-2022a_opt -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-2022a_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022b_libxc6_mpi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022a -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_foss-2022a_mpi_debug -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022b -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
eb_fosscuda-2022a_mpi_omp -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
spack_foss-2022a_serial -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022a_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022a_impi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_serial_min -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-2022a_mpi_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022b_impi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_serial_debug -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
spack_foss-2022a_serial_omp -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-2022a_omp_impi -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS