Match comparison for N_electrons [step 500] (match type 24580)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 04-lithium.02-absorbing_boundaries.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.926157647067783e+00 1.820000000000000e-07 2.926157668589116e+00 8.559033292011175e-08 2.926157598434355e+00 1.294198159751403e-07 PASS

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Detailed information

Reference: 2.9261576470677833, precision: 0.000000182
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
cmake_foss_2022a_full_serial 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_serial 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_ppc 2.926157688275242e+00 4.120745922264746e-08 2.264146111134476e-01 PASS
spack_foss-2023a_mpi_min 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
cmake_foss_2022a_min_serial 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_mpi_min 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_mpi 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
cmake_foss_2022a_full_mpi 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_mpi 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
cmake_foss_2022a_min_mpi 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.926157668947451e+00 2.187966741118430e-08 1.202179528087050e-01 PASS
spack_foss-2023a_mpi_debug 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_serial 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_mpi_opt 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2022a_cuda_serial 2.926157655583581e+00 8.515797844665940e-09 4.679009804761506e-02 PASS
spack_foss-2023a_serial_debug 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_serial_min 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_serial_opt 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_mpi_omp 2.926157545191002e+00 -1.018767807892118e-07 -5.597625318088562e-01 PASS
spack_foss-2023b_serial 2.926157727854171e+00 8.078638780162350e-08 4.438812516572720e-01 PASS
spack_foss-2023a_serial_omp 2.926157545191002e+00 -1.018767807892118e-07 -5.597625318088562e-01 PASS
spack_intel-2023a_serial 2.926157469014539e+00 -1.780532441486571e-07 -9.783145282893247e-01 PASS
spack_intel-2022a_serial_omp 2.926157588586445e+00 -5.848133799446487e-08 -3.213260329366202e-01 PASS
spack_intel-2023a_serial_omp 2.926157573836807e+00 -7.323097594991168e-08 -4.023679997247895e-01 PASS
spack_intel-2023a_impi 2.926157469014539e+00 -1.780532441486571e-07 -9.783145282893247e-01 PASS
spack_intel-2022a_impi_omp 2.926157588586445e+00 -5.848133799446487e-08 -3.213260329366202e-01 PASS
spack_foss-2023a_valgrind 2.926157554747275e+00 -9.232050857121976e-08 -5.072555416001087e-01 PASS