Match comparison for Hartree energy (match type 22022)

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Input 14-silicon_shifts.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.515967250000000e-01 1.000000000000000e-07 5.515966718750001e-01 7.261843783753703e-09 5.515966850000000e-01 1.500000001986024e-08 PASS

Checks for this match

  • GPU builders have different values.
  • 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: 0.551596725, precision: 0.0000001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-min: [foss2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-min: [foss2022a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-full: [foss2023b-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-full: [foss2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-min: [foss2023b-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-opt-full: [foss2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
intel-serial: [intel2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-serial-debug: [foss2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-ppc: [foss2022a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
intel_omp_autotools: [intel2022a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
intel_omp_autotools: [intel2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-omp-full: [foss2023a-serial] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-full: [foss2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-min: [foss2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-min: [foss2022a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 5.515966700000000e-01 -5.499999999880600e-08 -5.499999999880600e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 5.515967000000001e-01 -2.499999995908553e-08 -2.499999995908553e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 5.515967000000001e-01 -2.499999995908553e-08 -2.499999995908553e-01 PASS