Match comparison for Hartree (match type 24572)

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Input 04-lithium.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.706538100000000e+00 1.140000000000000e-06 2.706537954999999e+00 3.019874642179280e-07 2.706537680000000e+00 6.200000000067263e-07 PASS

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Detailed information

Reference: 2.7065381, precision: 0.00000114
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_serial_min 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_serial 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_serial_opt 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2022a_serial 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023b_serial 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2022a_ppc 2.706537800000000e+00 -2.999999999531155e-07 -2.631578946957154e-01 PASS
spack_foss-2022a_mpi_min 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_mpi_min 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_serial_debug 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_serial_omp 2.706537060000000e+00 -1.039999999896679e-06 -9.122807016637535e-01 PASS
spack_foss-2022a_cuda_serial 2.706538300000000e+00 2.000000001167734e-07 1.754385965936609e-01 PASS
spack_foss-2023a_mpi_opt 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2022a_mpi 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_mpi 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
cmake_foss_2022a_full_mpi 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2022a_cuda_mpi_omp 2.706537490000000e+00 -6.099999998454564e-07 -5.350877191626809e-01 PASS
spack_foss-2023a_mpi_debug 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_foss-2023a_mpi_omp 2.706537060000000e+00 -1.039999999896679e-06 -9.122807016637535e-01 PASS
cmake_foss_2022a_min_serial 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
cmake_foss_2022a_full_serial 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
cmake_foss_2022a_min_mpi 2.706538110000000e+00 9.999999939225290e-09 8.771929771250254e-03 PASS
spack_intel-2023a_serial 2.706537720000000e+00 -3.799999999110071e-07 -3.333333332552693e-01 PASS
spack_intel-2022a_serial_omp 2.706538060000000e+00 -3.999999975690116e-08 -3.508771908500102e-02 PASS
spack_intel-2023a_serial_omp 2.706537760000000e+00 -3.400000001541059e-07 -2.982456141702683e-01 PASS
spack_intel-2023a_impi 2.706537720000000e+00 -3.799999999110071e-07 -3.333333332552693e-01 PASS
spack_intel-2022a_impi_omp 2.706538060000000e+00 -3.999999975690116e-08 -3.508771908500102e-02 PASS
spack_foss-2023a_valgrind 2.706537840000000e+00 -2.599999997521252e-07 -2.280701752211624e-01 PASS