Match comparison for Ion-ion energy (match type 12852)

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.315759358000000e+01 6.579999999999999e-08 1.315759358000000e+01 3.552713678800501e-15 1.315759358000000e+01 0.000000000000000e+00 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 13.157593579999999, precision: 0.0000000658
Run Value Difference Relative difference Status
spack_foss-2023a_serial_opt 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023b_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_intel-2023a_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_ppc 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
cmake_foss_2022a_full_mpi 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_mpi_min 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_serial_omp 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_serial_debug 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_mpi_opt 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_intel-2022a_serial_omp 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_intel-2023a_serial_omp 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_cuda_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_intel-2023a_impi 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_mpi_omp 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
cmake_foss_2022a_min_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
cmake_foss_2022a_min_mpi 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_serial_min 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_mpi_min 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2022a_mpi 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_intel-2022a_impi_omp 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_mpi 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_mpi_debug 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
cmake_foss_2022a_full_serial 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS
spack_foss-2023a_serial_min 1.315759358000000e+01 1.776356839400250e-15 2.699630455015578e-08 PASS