Match comparison for Total energy (match type 3516)

Commits > Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 > Input 15-calcium_psp8_sic.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.706602500000000e-01 3.000000000000000e-07 -8.706605393939394e-01 2.386063004114184e-09 -8.706605350000001e-01 5.000000025123796e-09 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: -0.87066025, precision: 0.0000003
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-serial-min: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-serial-min: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-serial-min: [foss2023b-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_autotools: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-opt-full: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
intel_autotools: [intel2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_autotools: [foss2023b-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-ppc: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-omp-full: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -8.706605300000000e-01 -2.799999999636427e-07 -9.333333332121423e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.706605300000000e-01 -2.799999999636427e-07 -9.333333332121423e-01 PASS