Match comparison for Hartree energy (match type 30556)

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.641734400000000e+00 1.920000000000000e-05 4.641742337272727e+00 9.517991344088249e-06 4.641738470000000e+00 2.152999999971428e-05 FAIL

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Detailed information

Reference: 4.6417344, precision: 0.0000192
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.641743520000000e+00 9.120000000528705e-06 4.750000000275367e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.641745760000000e+00 1.136000000023785e-05 5.916666666790545e-01 PASS
foss-ppc: [foss2022a-serial] 4.641745450000000e+00 1.105000000034551e-05 5.755208333513284e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.641739010000000e+00 4.610000000404568e-06 2.401041666877379e-01 PASS
foss-serial-min: [foss2022a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-min: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-full: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-full: [foss2023b-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.641747940000000e+00 1.354000000031164e-05 7.052083333495645e-01 PASS
foss-serial-min: [foss2023b-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.641747970000000e+00 1.357000000012931e-05 7.067708333400684e-01 PASS
foss-opt-full: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
intel-serial: [intel2023a-serial] 4.641739450000000e+00 5.050000000395016e-06 2.630208333539071e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.641739500000000e+00 5.100000000091143e-06 2.656250000047470e-01 PASS
foss-omp-full: [foss2023a-serial] 4.641740230000000e+00 5.830000000095481e-06 3.036458333383063e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.641743490000000e+00 9.089999999822851e-06 4.734374999907735e-01 PASS
foss-mpi-full: [foss2023a-mpi] 4.641760000000000e+00 2.559999999984797e-05 1.333333333325415e+00 FAIL
foss-mpi-opt-full: [foss2023a-mpi] 4.641760000000000e+00 2.559999999984797e-05 1.333333333325415e+00 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.641760000000000e+00 2.559999999984797e-05 1.333333333325415e+00 FAIL
foss-mpi-debug: [foss2023a-mpi] 4.641760000000000e+00 2.559999999984797e-05 1.333333333325415e+00 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.641760000000000e+00 2.559999999984797e-05 1.333333333325415e+00 FAIL
foss-mpi-min: [foss2022a-mpi] 4.641730400000000e+00 -3.999999999670933e-06 -2.083333333161945e-01 PASS
foss-mpi-min: [foss2023a-mpi] 4.641730400000000e+00 -3.999999999670933e-06 -2.083333333161945e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.641730400000000e+00 -3.999999999670933e-06 -2.083333333161945e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.641730400000000e+00 -3.999999999670933e-06 -2.083333333161945e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 4.641744380000000e+00 9.979999999742972e-06 5.197916666532798e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.641744160000000e+00 9.760000000191837e-06 5.083333333433249e-01 PASS
valgrind: [foss2023a-serial] 4.641738290000000e+00 3.890000000339455e-06 2.026041666843466e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 4.641716940000000e+00 -1.745999999958059e-05 -9.093749999781557e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 4.641739920000000e+00 5.520000000203140e-06 2.875000000105802e-01 PASS