Match comparison for Energy [step 4] (match type 29798)

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Input 10-bomd.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.058219875382902e+01 9.840000000000001e-09 -1.058219875189971e+01 6.288483020346152e-09 -1.058219875288493e+01 8.187369893164487e-09 PASS

Checks for this match

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

Reference: -10.582198753829019, precision: 0.00000000984
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.058219875816982e+01 -4.340797943314101e-09 -4.411380023693192e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.058219875816982e+01 -4.340797943314101e-09 -4.411380023693192e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.058219874469756e+01 9.131460032563155e-09 9.279939057482880e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.058219874548470e+01 8.344319013531276e-09 8.479998997491134e-01 PASS
foss-serial-min: [foss2022a-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
foss-serial-min: [foss2023a-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
foss-serial-min: [foss2023b-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
foss-serial-full: [foss2023a-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
foss-serial-full: [foss2023b-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
intel_autotools: [intel2023a-serial] -1.058219875542897e+01 -1.599953947106769e-09 -1.625969458441839e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.058219875779334e+01 -3.964320427485291e-09 -4.028780922241149e-01 PASS
foss-ppc: [foss2022a-serial] -1.058219876107230e+01 -7.243279753765819e-09 -7.361056660331117e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.058219875520666e+01 -1.377639335942149e-09 -1.400039975550964e-01 PASS
foss-serial-debug: [foss2023a-serial] -1.058219875828420e+01 -4.455179336559922e-09 -4.527621276991791e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.058219875520666e+01 -1.377639335942149e-09 -1.400039975550964e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.058219874576435e+01 8.064665379947655e-09 8.195798150353307e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -1.058219875476236e+01 -9.333387396281978e-10 -9.485149792969490e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.058219875779334e+01 -3.964320427485291e-09 -4.028780922241149e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.058219874480388e+01 9.025141523011371e-09 9.171891791678222e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.058219874480388e+01 9.025141523011371e-09 9.171891791678222e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.058219874484920e+01 8.979823107324592e-09 9.125836491183528e-01 PASS
foss-mpi-min: [foss2022a-mpi] -1.058219874508556e+01 8.743461066273994e-09 8.885631164912595e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -1.058219874509448e+01 8.734540202226526e-09 8.876565246165168e-01 PASS
foss-mpi-min: [foss2023a-mpi] -1.058219874508556e+01 8.743461066273994e-09 8.885631164912595e-01 PASS
foss-opt-full: [foss2023a-serial] -1.058219875779334e+01 -3.964320427485291e-09 -4.028780922241149e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.058219874576435e+01 8.064665379947655e-09 8.195798150353307e-01 PASS
foss-omp-full: [foss2023a-serial] -1.058219875689008e+01 -3.061057185504978e-09 -3.110830473074165e-01 PASS
foss-mpi-full: [foss2023a-mpi] -1.058219874509448e+01 8.734540202226526e-09 8.876565246165168e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.058219874576435e+01 8.064665379947655e-09 8.195798150353307e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.058219874497736e+01 8.851655408648185e-09 8.995584764886366e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.058219874482471e+01 9.004311962712563e-09 9.150723539342035e-01 PASS
valgrind: [foss2023a-serial] -1.058219875783962e+01 -4.010598075865346e-09 -4.075811052708684e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.058219874476440e+01 9.064622830123881e-09 9.212015071264106e-01 PASS