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

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Input 10-bomd.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.058217201622326e+01 1.880000000000000e-08 -1.058217201820144e+01 7.181160394903968e-09 -1.058217201766277e+01 8.166839648993118e-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: 0.0000000188
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2023a_serial_min -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2023a_serial -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2022a_serial -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2023a_serial_opt -1.058217202403066e+01 -7.807404500681514e-09 -4.152874734405061e-01 PASS
spack_foss-2023b_serial -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2022a_ppc -1.058217202494872e+01 -8.725457689706673e-09 -4.641200898780145e-01 PASS
spack_foss-2023a_mpi_min -1.058217201026411e+01 5.959149618206538e-09 3.169760435216244e-01 PASS
spack_foss-2022a_mpi_min -1.058217201026411e+01 5.959149618206538e-09 3.169760435216244e-01 PASS
spack_foss-2023a_serial_debug -1.058217202439747e+01 -8.174211529876629e-09 -4.347984856317356e-01 PASS
spack_foss-2023a_serial_omp -1.058217202440462e+01 -8.181359589798376e-09 -4.351787015850200e-01 PASS
spack_foss-2023a_mpi_opt -1.058217200967642e+01 6.546839514953717e-09 3.482361444124318e-01 PASS
spack_foss-2022a_mpi -1.058217200949593e+01 6.727326251620980e-09 3.578365027457968e-01 PASS
spack_foss-2023a_mpi -1.058217200949593e+01 6.727326251620980e-09 3.578365027457968e-01 PASS
cmake_foss_2022a_full_mpi -1.058217200967642e+01 6.546839514953717e-09 3.482361444124318e-01 PASS
spack_foss-2022a_cuda_serial -1.058217202582961e+01 -9.606353046365257e-09 -5.109762258704924e-01 PASS
spack_foss-2023a_mpi_debug -1.058217200949593e+01 6.727326251620980e-09 3.578365027457968e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.058217200953836e+01 6.684901521225584e-09 3.555798681502970e-01 PASS
spack_foss-2023a_mpi_omp -1.058217201125072e+01 4.972539713321567e-09 2.644967932617854e-01 PASS
cmake_foss_2022a_min_serial -1.058217202403066e+01 -7.807404500681514e-09 -4.152874734405061e-01 PASS
cmake_foss_2022a_full_serial -1.058217202403066e+01 -7.807404500681514e-09 -4.152874734405061e-01 PASS
cmake_foss_2022a_min_mpi -1.058217200956461e+01 6.658648743496087e-09 3.541834438029834e-01 PASS
spack_intel-2023a_serial -1.058217202505475e+01 -8.831495534877831e-09 -4.697604007913740e-01 PASS
spack_intel-2022a_serial_omp -1.058217202363781e+01 -7.414550751150273e-09 -3.943909974016103e-01 PASS
spack_intel-2023a_serial_omp -1.058217202363781e+01 -7.414550751150273e-09 -3.943909974016103e-01 PASS
spack_intel-2023a_impi -1.058217201019650e+01 6.026759535870951e-09 3.205723157378166e-01 PASS
spack_intel-2022a_impi_omp -1.058217201025101e+01 5.972246697183436e-09 3.176726966586934e-01 PASS
spack_foss-2023a_valgrind -1.058217202448017e+01 -8.256915151605426e-09 -4.391976144470972e-01 PASS