Match comparison for electrons-solvent int. energy (match type 25160)

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Input 20-pcm-local-field-absorption.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.104000000000000e-05 1.650000000000000e-07 3.113074074074074e-05 6.809176411426037e-08 3.102000000000000e-05 1.300000000000004e-07 PASS

Checks for this match

  • GPU builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.00003104, precision: 0.000000165
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_serial_min 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_serial_opt 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023b_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_ppc 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_mpi_min 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_mpi_min 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_mpi_opt 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_serial_debug 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_serial_omp 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
cmake_foss_2022a_full_mpi 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_mpi 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_mpi 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2023a_mpi_debug 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_cuda_mpi_omp 3.089000000000000e-05 -1.500000000000036e-07 -9.090909090909312e-01 PASS
spack_foss-2023a_mpi_omp 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_foss-2022a_cuda_serial 3.089000000000000e-05 -1.500000000000036e-07 -9.090909090909312e-01 PASS
cmake_foss_2022a_min_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
cmake_foss_2022a_full_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
cmake_foss_2022a_min_mpi 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_intel-2023a_serial 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_intel-2022a_serial_omp 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_intel-2023a_serial_omp 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_intel-2023a_impi 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS
spack_intel-2022a_impi_omp 3.115000000000000e-05 1.099999999999973e-07 6.666666666666500e-01 PASS