Match comparison for Total energy (match type 32587)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 24-hartree_fock_1D.02-noACE.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.893799087200000e+02 2.450000000000000e-09 -4.848649833148277e+02 6.008650133310849e-07 -4.848649834200000e+02 6.100000007336348e-07 FAIL

Checks for this match

  • MPI builders have different values.
    • Intel® builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -489.37990872, precision: 0.00000000245
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-serial-min: [foss2022a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-serial-min: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss_cmake: [foss2022a-serial, foss-min] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss_cmake: [foss2022a-serial, foss-full] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
intel-serial: [intel2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-serial-full: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-opt-full: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-serial-min: [foss2023b-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-serial-full: [foss2023b-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-ppc: [foss2022a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
intel_omp_autotools: [intel2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss-omp-full: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-serial-debug: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
intel_omp_autotools: [intel2022a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-full: [foss2023a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-min: [foss2022a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-debug: [foss2023a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-min: [foss2023a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
foss-mpi-omp-full: [foss2023a-mpi] -4.848649840300000e+02 4.514924689999987e+00 1.842826404081627e+09 FAIL
valgrind: [foss2023a-serial] -4.848649828100000e+02 4.514925909999988e+00 1.842826902040812e+09 FAIL