Match comparison for Hartree energy (match type 26097)

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936413230000e+03 2.750000000000000e-05 3.988936426038846e+03 2.072426810120228e-05 3.988936413160000e+03 2.489000007699360e-05 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 3988.9364132299997, precision: 0.0000275
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 3.988936436950000e+03 2.372000017203391e-05 8.625454608012330e-01 PASS
cmake_foss_2022a_min_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
cmake_foss_2022a_full_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
cmake_foss_2022a_min_mpi 3.988936437940000e+03 2.471000016157632e-05 8.985454604209570e-01 PASS
cmake_foss_2022a_full_mpi 3.988936436370000e+03 2.314000039405073e-05 8.414545597836629e-01 PASS
spack_foss-2022a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
spack_foss-2022a_mpi 3.988936438000000e+03 2.477000043654698e-05 9.007272886017084e-01 PASS
spack_foss-2022a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2022a_cuda_mpi_omp 3.988936438050000e+03 2.482000036252430e-05 9.025454677281562e-01 PASS
spack_foss-2022a_serial_min 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2022a_cuda_serial 3.988936437950000e+03 2.472000005582231e-05 8.989090929389931e-01 PASS
spack_foss-2023a_mpi 3.988936437920000e+03 2.469000037308433e-05 8.978181953848847e-01 PASS
spack_foss-2023a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
spack_foss-2023a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_serial_min 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_mpi_opt 3.988936437590000e+03 2.436000022498774e-05 8.858181899995543e-01 PASS
spack_foss-2023a_serial_opt 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
spack_foss-2023a_mpi_debug 3.988936437120000e+03 2.389000019320520e-05 8.687272797529162e-01 PASS
spack_foss-2023a_serial_debug 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023b_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_serial_omp 3.988936438030000e+03 2.480000011928496e-05 9.018181861558167e-01 PASS
spack_intel-2022a_serial_omp 3.988936438030000e+03 2.480000011928496e-05 9.018181861558167e-01 PASS
spack_foss-2023a_mpi_omp 3.988936437950000e+03 2.472000005582231e-05 8.989090929389931e-01 PASS
spack_intel-2023a_serial 3.988936431460000e+03 1.823000047807000e-05 6.629091082934544e-01 PASS
spack_intel-2023a_impi 3.988936437470000e+03 2.424000012979377e-05 8.814545501743190e-01 PASS
spack_intel-2022a_impi_omp 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS