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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Input 10-bomd.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.058217201622326e+01 8.890000000000001e-09 -1.058217201842849e+01 7.154284180769692e-09 -1.058217201765681e+01 8.172802878902985e-09 FAIL

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
spack_foss-2022a_serial_min -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2023a_serial_min -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2023a_serial -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2022a_serial -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2023a_serial_opt -1.058217202403066e+01 -7.807404500681514e-09 -8.782232284231174e-01 PASS
spack_foss-2023b_serial -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2022a_ppc -1.058217202494872e+01 -8.725457689706673e-09 -9.814913036790407e-01 PASS
spack_foss-2022a_mpi_min -1.058217201026411e+01 5.959149618206538e-09 6.703205419804880e-01 PASS
spack_foss-2023a_mpi_min -1.058217201026411e+01 5.959149618206538e-09 6.703205419804880e-01 PASS
spack_foss-2023a_serial_omp -1.058217202440462e+01 -8.181359589798376e-09 -9.202879178625845e-01 PASS
spack_foss-2023a_serial_debug -1.058217202439747e+01 -8.174211529876629e-09 -9.194838616284172e-01 PASS
spack_foss-2023a_mpi_opt -1.058217200967642e+01 6.546839514953717e-09 7.364273920082921e-01 PASS
spack_foss-2022a_mpi -1.058217200949593e+01 6.727326251620980e-09 7.567296121058470e-01 PASS
spack_foss-2023a_mpi -1.058217200949593e+01 6.727326251620980e-09 7.567296121058470e-01 PASS
spack_foss-2022a_cuda_serial -1.058217202582961e+01 -9.606353046365257e-09 -1.080579645260434e+00 FAIL
spack_foss-2023a_mpi_debug -1.058217200949593e+01 6.727326251620980e-09 7.567296121058470e-01 PASS
spack_foss-2023a_mpi_omp -1.058217201125072e+01 4.972539713321567e-09 5.593408001486576e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.058217200948401e+01 6.739252711440713e-09 7.580711711406876e-01 PASS
spack_intel-2023a_serial -1.058217202505475e+01 -8.831495534877831e-09 -9.934190702899697e-01 PASS
spack_intel-2022a_serial_omp -1.058217202363781e+01 -7.414550751150273e-09 -8.340327054162286e-01 PASS
spack_intel-2023a_serial_omp -1.058217202363781e+01 -7.414550751150273e-09 -8.340327054162286e-01 PASS
spack_intel-2022a_impi_omp -1.058217201025101e+01 5.972246697183436e-09 6.717937792107352e-01 PASS
spack_intel-2023a_impi -1.058217201019650e+01 6.026759535870951e-09 6.779257070720980e-01 PASS
spack_foss-2023a_valgrind -1.058217202448017e+01 -8.256915151605426e-09 -9.287868561985856e-01 PASS