Match comparison for Hartree (match type 24572)

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Input 04-lithium.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.706538100000000e+00 8.899999999999999e-07 2.706537945500000e+00 2.812912191645314e-07 2.706537680000000e+00 6.200000000067263e-07 FAIL

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Detailed information

Reference: 2.7065381, precision: 0.00000089
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 2.706537800000000e+00 -2.999999999531155e-07 -3.370786516327141e-01 PASS
spack_foss-2022a_cuda_serial 2.706538300000000e+00 2.000000001167734e-07 2.247191012548016e-01 PASS
spack_foss-2022a_serial 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_mpi 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_serial_min 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_mpi_min 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_mpi_opt 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_serial_opt 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_serial_debug 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2023a_serial 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2022a_cuda_mpi_omp 2.706537490000000e+00 -6.099999998454564e-07 -6.853932582533219e-01 PASS
spack_foss-2023a_serial_omp 2.706537060000000e+00 -1.039999999896679e-06 -1.168539325726606e+00 FAIL
spack_foss-2022a_mpi_debug 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_foss-2023a_serial_min 2.706538110000000e+00 9.999999939225290e-09 1.123595498789359e-02 PASS
spack_intel-2022a_serial_omp 2.706538060000000e+00 -3.999999975690116e-08 -4.494381995157434e-02 PASS
spack_intel-2023a_serial 2.706537720000000e+00 -3.799999999110071e-07 -4.269662920348394e-01 PASS
spack_intel-2023a_serial_omp 2.706537760000000e+00 -3.400000001541059e-07 -3.820224720832651e-01 PASS
spack_intel-2023a_impi 2.706537720000000e+00 -3.799999999110071e-07 -4.269662920348394e-01 PASS
spack_intel-2022a_impi_omp 2.706538060000000e+00 -3.999999975690116e-08 -4.494381995157434e-02 PASS
spack_foss-2022a_valgrind 2.706537840000000e+00 -2.599999997521252e-07 -2.921348311821632e-01 PASS