Match comparison for Hartree energy (match type 26097)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936413230000e+03 2.750000000000000e-05 3.988936426154815e+03 2.031175495450205e-05 3.988936413150000e+03 2.487999995537393e-05 PASS
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Detailed information

Reference: 3988.9364132299997, precision: 0.0000275
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
cmake_foss_2022a_full_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
spack_foss-2022a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2022a_ppc 3.988936436950000e+03 2.372000017203391e-05 8.625454608012330e-01 PASS
spack_foss-2023a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
cmake_foss_2022a_min_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
spack_foss-2022a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
spack_foss-2023a_mpi 3.988936435840000e+03 2.261000008729752e-05 8.221818213562735e-01 PASS
cmake_foss_2022a_full_mpi 3.988936431980000e+03 1.875000043582986e-05 6.818181976665404e-01 PASS
spack_foss-2022a_mpi 3.988936437740000e+03 2.451000045766705e-05 8.912727439151653e-01 PASS
cmake_foss_2022a_min_mpi 3.988936437870000e+03 2.464000044710701e-05 8.960000162584368e-01 PASS
spack_foss-2022a_cuda_mpi_omp 3.988936437460000e+03 2.423000023554778e-05 8.810909176562828e-01 PASS
spack_foss-2023a_mpi_debug 3.988936437980000e+03 2.475000019330764e-05 9.000000070293688e-01 PASS
spack_foss-2023a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_mpi_opt 3.988936438010000e+03 2.478000033079297e-05 9.010909211197444e-01 PASS
spack_foss-2022a_cuda_serial 3.988936437950000e+03 2.472000005582231e-05 8.989090929389931e-01 PASS
spack_foss-2023a_serial_debug 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_serial_opt 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
spack_foss-2023a_mpi_omp 3.988936437040000e+03 2.381000012974255e-05 8.658181865360927e-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-2023a_serial 3.988936431460000e+03 1.823000047807000e-05 6.629091082934544e-01 PASS
spack_intel-2022a_serial_omp 3.988936438030000e+03 2.480000011928496e-05 9.018181861558167e-01 PASS
spack_intel-2023a_serial_omp 3.988936436820000e+03 2.359000018259394e-05 8.578181884579614e-01 PASS
spack_intel-2023a_impi 3.988936437610000e+03 2.438000046822708e-05 8.865454715718938e-01 PASS
spack_intel-2022a_impi_omp 3.988936436890000e+03 2.366000035181060e-05 8.603636491567489e-01 PASS