Match comparison for Total energy (match type 3516)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > 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 -8.706605394642859e-01 2.251700049335415e-09 -8.706605350000001e-01 5.000000025123796e-09 PASS

Checks for this match

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  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.87066025, precision: 0.0000003
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_serial_opt -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_serial_min -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_ppc -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023b_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_mpi_min -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_mpi_min -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_serial_omp -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_mpi_opt -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_mpi -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_mpi -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_serial_debug -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_mpi_debug -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_mpi_omp -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
cmake_foss_2022a_full_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
cmake_foss_2022a_min_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
cmake_foss_2022a_min_mpi -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
cmake_foss_2022a_full_mpi -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_intel-2022a_impi_omp -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_intel-2023a_serial -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_intel-2022a_serial_omp -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_intel-2023a_serial_omp -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_intel-2023a_impi -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.706605300000000e-01 -2.799999999636427e-07 -9.333333332121423e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.706605300000000e-01 -2.799999999636427e-07 -9.333333332121423e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2023a_valgrind -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
spack_foss-2022a_cuda_serial -8.706605300000000e-01 -2.799999999636427e-07 -9.333333332121423e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.706605400000000e-01 -2.900000000138903e-07 -9.666666667129675e-01 PASS