Match comparison for Energy [step 4] (match type 23964)

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Input 10-bomd.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.058217201622326e+01 8.890000000000001e-09 -1.058217201914162e+01 6.773519854921641e-09 -1.058217201697546e+01 7.518552003205059e-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: -10.582172016223259, precision: 0.00000000889
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.058217202403066e+01 -7.807404500681514e-09 -8.782232284231174e-01 PASS
spack_foss-2022a_serial_min -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
foss-2022a_ppc -1.058217202359044e+01 -7.367184196027665e-09 -8.287046339738655e-01 PASS
spack_foss-2022a_serial_opt -1.058217202403066e+01 -7.807404500681514e-09 -8.782232284231174e-01 PASS
spack_foss-2022a_serial -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
foss-2022a_opt -1.058217202424917e+01 -8.025912379139299e-09 -9.028022923666253e-01 PASS
intel-2022b -1.058217202430094e+01 -8.077678970153102e-09 -9.086253059789765e-01 PASS
intel-2022a -1.058217202430094e+01 -8.077678970153102e-09 -9.086253059789765e-01 PASS
spack_foss-2022a_serial_omp -1.058217202430296e+01 -8.079698687879500e-09 -9.088524958244656e-01 PASS
cmake_foss_2022a_full_mpi -1.058217200967642e+01 6.546839514953717e-09 7.364273920082921e-01 PASS
spack_foss-2022a_serial_debug -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
foss-2022a_omp -1.058217202401037e+01 -7.787109623791366e-09 -8.759403401340119e-01 PASS
intel-2022a_omp -1.058217202449401e+01 -8.270747642313836e-09 -9.303428169081930e-01 PASS
intel-2022b_impi -1.058217201004889e+01 6.174367683797755e-09 6.945295482337182e-01 PASS
intel-2022a_impi -1.058217201004889e+01 6.174367683797755e-09 6.945295482337182e-01 PASS
eb_fosscuda-2022a_mpi_omp -1.058217200947740e+01 6.745857206169603e-09 7.588140839335886e-01 PASS
eb_fosscuda-2022a -1.058217202419417e+01 -7.970911042320949e-09 -8.966154153341900e-01 PASS
cmake_foss_2022a_min_serial -1.058217202403066e+01 -7.807404500681514e-09 -8.782232284231174e-01 PASS
foss-2022a_mpi_omp -1.058217200988850e+01 6.334754942827203e-09 7.125708597105965e-01 PASS
cmake_foss_2022a_min_mpi -1.058217200956461e+01 6.658648743496087e-09 7.490043580985475e-01 PASS
eb_foss-2022a -1.058217202407188e+01 -7.848615979355600e-09 -8.828589403099661e-01 PASS
eb_foss-2022b_libxc6 -1.058217202416528e+01 -7.942018598328104e-09 -8.933654216342074e-01 PASS
eb_foss-2022a_debug -1.058217202407188e+01 -7.848615979355600e-09 -8.828589403099661e-01 PASS
intel-2022a_omp_impi -1.058217201051403e+01 5.709225092687120e-09 6.422075469839280e-01 PASS
eb_foss-2022a_mpi -1.058217201100049e+01 5.222771548574201e-09 5.874883631692014e-01 PASS
eb_foss-2022b_libxc6_mpi -1.058217200945690e+01 6.766356364096282e-09 7.611199509669608e-01 PASS
eb_foss-2022a_mpi_debug -1.058217201100049e+01 5.222771548574201e-09 5.874883631692014e-01 PASS
eb_foss-2022a_valgrind -1.058217202425243e+01 -8.029166664869081e-09 -9.031683537535523e-01 PASS