Match comparison for External energy (libxc5) (match type 28094)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 07-mgga.02-tb09_gs_nosymm.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.847874444000000e+01 1.420000000000000e-09 -2.847874444230769e+01 2.171629918316424e-08 -2.847874448500000e+01 5.500000099800673e-08 FAIL

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Detailed information

Reference: -28.478744439999996, precision: 0.00000000142
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
cmake_foss_2022a_full_serial -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2022a_serial -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2022a_ppc -2.847874446000000e+01 -2.000000520752110e-08 -1.408451070952190e+01 FAIL
spack_foss-2023a_mpi_min -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
cmake_foss_2022a_min_serial -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2022a_mpi_min -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2023a_mpi -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
cmake_foss_2022a_full_mpi -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2022a_mpi -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
cmake_foss_2022a_min_mpi -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2023a_mpi_debug -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2023a_serial -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2023a_mpi_opt -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2022a_cuda_serial -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_foss-2023a_serial_debug -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2023a_serial_min -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2023a_serial_opt -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2023a_mpi_omp -2.847874447000000e+01 -3.000000248221113e-08 -2.112676231141629e+01 FAIL
spack_foss-2023b_serial -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_foss-2023a_serial_omp -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_intel-2023a_serial -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_intel-2022a_serial_omp -2.847874454000000e+01 -1.000000047213234e-07 -7.042253853614325e+01 FAIL
spack_intel-2023a_serial_omp -2.847874444000000e+01 -3.552713678800501e-15 -2.501911041408803e-06 PASS
spack_intel-2023a_impi -2.847874443000000e+01 9.999997274690031e-09 7.042251601894388e+00 FAIL
spack_intel-2022a_impi_omp -2.847874445000000e+01 -1.000000438011739e-08 -7.042256605716471e+00 FAIL