Match comparison for Exchange energy (match type 13938)

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Input 07-mgga.05-br89_primitive.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.187185290000000e+00 1.590000000000000e-07 -3.187185290000000e+00 0.000000000000000e+00 -3.187185290000000e+00 0.000000000000000e+00 PASS
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Detailed information

Reference: -3.1871852899999995, precision: 0.000000159
Run Value Difference Relative difference Status
foss-2022a_ppc -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_serial_opt -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_serial_min -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_serial -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
foss-2022a_opt -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022b -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022a -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_serial_omp -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_serial_debug -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
foss-2022a_omp -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_mpi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022a_omp -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022a_impi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
cmake_foss_2022a_full_mpi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
spack_foss-2022a_mpi_omp -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_fosscuda-2022a -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
cmake_foss_2022a_full_serial -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
cmake_foss_2022a_min_serial -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
foss-2022a_mpi_omp -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
cmake_foss_2022a_min_mpi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022a -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022b_libxc6 -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022a_omp_impi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022a_debug -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022a_mpi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022b_libxc6_mpi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
eb_foss-2022a_mpi_debug -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS
intel-2022b_impi -3.187185290000000e+00 -4.440892098500626e-16 -2.793013898428067e-09 PASS