Match comparison for Hartree energy (match type 15686)

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Input 09-vdw_ts_sc.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.016538032000000e+01 2.510000000000000e-07 5.016538031999999e+01 7.105427357601002e-15 5.016538032000000e+01 0.000000000000000e+00 PASS
Checks do not indicate problems with this match.
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Detailed information

Reference: 50.16538032, precision: 0.000000251
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_valgrind 5.016538032000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS