Match comparison for Exchange energy (match type 30558)

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.181951600000000e+00 7.410000000000000e-06 -2.181954685757576e+00 3.673535189616028e-06 -2.181953200000000e+00 8.299999999961116e-06 FAIL

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Detailed information

Reference: -2.1819516, precision: 0.00000741
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.181955140000000e+00 -3.539999999802035e-06 -4.777327934955513e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.181955140000000e+00 -3.539999999802035e-06 -4.777327934955513e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.181956010000000e+00 -4.409999999843706e-06 -5.951417003837659e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.181953400000000e+00 -1.799999999718693e-06 -2.429149797191219e-01 PASS
foss-serial-min: [foss2023a-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
intel-serial: [intel2023a-serial] -2.181953570000000e+00 -1.970000000017791e-06 -2.658569500698773e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-serial-min: [foss2022a-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-serial-full: [foss2023b-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-serial-min: [foss2023b-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-opt-full: [foss2023a-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-serial-full: [foss2023a-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.181953600000000e+00 -1.999999999835467e-06 -2.699055330412236e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.181956840000000e+00 -5.239999999684386e-06 -7.071524965835878e-01 PASS
foss-ppc: [foss2022a-serial] -2.181955890000000e+00 -4.289999999684824e-06 -5.789473683785187e-01 PASS
foss-omp-full: [foss2023a-serial] -2.181953870000000e+00 -2.269999999970906e-06 -3.063427800230643e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.181956860000000e+00 -5.260000000006926e-06 -7.098515519577497e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.181961500000000e+00 -9.899999999785081e-06 -1.336032388634964e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.181961500000000e+00 -9.899999999785081e-06 -1.336032388634964e+00 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -2.181961500000000e+00 -9.899999999785081e-06 -1.336032388634964e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.181950060000000e+00 1.539999999966568e-06 2.078272604543277e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.181961500000000e+00 -9.899999999785081e-06 -1.336032388634964e+00 FAIL
intel_mpi_autotools: [intel2023a-mpi] -2.181955130000000e+00 -3.529999999862810e-06 -4.763832658384358e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.181950060000000e+00 1.539999999966568e-06 2.078272604543277e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.181950060000000e+00 1.539999999966568e-06 2.078272604543277e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.181961500000000e+00 -9.899999999785081e-06 -1.336032388634964e+00 FAIL
foss-mpi-min: [foss2023a-mpi] -2.181950060000000e+00 1.539999999966568e-06 2.078272604543277e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.181955480000000e+00 -3.879999999956141e-06 -5.236167341371309e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.181955390000000e+00 -3.790000000059024e-06 -5.114709851631611e-01 PASS
valgrind: [foss2023a-serial] -2.181953120000000e+00 -1.520000000088118e-06 -2.051282051400968e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.181944900000000e+00 6.700000000137152e-06 9.041835357809921e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -2.181953750000000e+00 -2.149999999812024e-06 -2.901484480178171e-01 PASS