Match comparison for Correlation energy (match type 30381)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.387894220000000e+00 1.690000000000000e-07 -3.387894220689655e+00 2.490409672153263e-08 -3.387894240000000e+00 3.999999997894577e-08 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -3.38789422, precision: 0.000000169
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_min_autotools: [foss2022a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
intel_autotools: [intel2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_autotools: [foss2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_opt_autotools: [foss2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_autotools: [foss2023b-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_autotools: [foss2022a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.387894240000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.387894200000000e+00 2.000000032253979e-08 1.183431971747917e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.387894280000000e+00 -5.999999963535174e-08 -3.550295836411346e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.387894280000000e+00 -5.999999963535174e-08 -3.550295836411346e-01 PASS