Match comparison for PBE0 Fock Int[n*v_xc] (match type 12506)

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.236457000000000e-01 3.840000000000000e-06 -3.236487741176470e-01 1.642286995134121e-06 -3.236456950000000e-01 3.494999999992254e-06 PASS

Checks for this match

  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.3236457, precision: 0.00000384
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_min_autotools: [foss2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_autotools: [foss2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_opt_autotools: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_autotools: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_autotools: [foss2023b-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
intel_autotools: [intel2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.236422000000000e-01 3.499999999989623e-06 9.114583333306310e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.236422100000000e-01 3.489999999994886e-06 9.088541666653350e-01 PASS