Match comparison for Hartree energy (match type 26097)

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936413230000e+03 2.750000000000000e-05 3.988936426491250e+03 1.985903329010015e-05 3.988936413165000e+03 2.489500002411660e-05 PASS
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Detailed information

Reference: 3988.9364132299997, precision: 0.0000275
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
cmake_foss_2022a_full_mpi 3.988936437870000e+03 2.464000044710701e-05 8.960000162584368e-01 PASS
cmake_foss_2022a_min_serial 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
cmake_foss_2022a_min_mpi 3.988936437260000e+03 2.403000007689116e-05 8.738181846142238e-01 PASS
spack_foss-2022a_cuda_mpi_omp 3.988936438030000e+03 2.480000011928496e-05 9.018181861558167e-01 PASS
spack_foss-2022a_mpi 3.988936436560000e+03 2.333000020371401e-05 8.483636437714184e-01 PASS
spack_foss-2022a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
spack_foss-2022a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2022a_serial_min 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_mpi 3.988936438060000e+03 2.483000025677029e-05 9.029091002461923e-01 PASS
spack_foss-2023a_mpi_min 3.988936437960000e+03 2.473000040481566e-05 8.992727419932965e-01 PASS
spack_foss-2022a_cuda_serial 3.988936437950000e+03 2.472000005582231e-05 8.989090929389931e-01 PASS
spack_foss-2023a_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_mpi_opt 3.988936422820000e+03 9.590000445314217e-06 3.487272889205170e-01 PASS
spack_foss-2023a_serial_min 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-01 PASS
spack_foss-2023a_mpi_omp 3.988936437520000e+03 2.429000005577109e-05 8.832727293007668e-01 PASS
spack_foss-2023a_serial_opt 3.988936437660000e+03 2.443000039420440e-05 8.883636506983418e-01 PASS
spack_foss-2023a_serial_omp 3.988936438030000e+03 2.480000011928496e-05 9.018181861558167e-01 PASS
spack_foss-2023b_serial 3.988936388270000e+03 -2.495999979146291e-05 -9.076363560531966e-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_impi 3.988936437110000e+03 2.388000029895920e-05 8.683636472348801e-01 PASS
spack_intel-2023a_serial_omp 3.988936436820000e+03 2.359000018259394e-05 8.578181884579614e-01 PASS
spack_intel-2022a_impi_omp 3.988936438020000e+03 2.479000022503897e-05 9.014545536377806e-01 PASS