Match comparison for Energy [step 1] (match type 29795)

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Input 10-bomd.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.058122524391890e+01 7.820000000000000e-09 -1.058122524493369e+01 7.038284200274842e-09 -1.058122524392319e+01 7.117170852666277e-09 PASS

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  • MPI builders have different values.
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Detailed information

Reference: -10.5812252439189, precision: 0.00000000782
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
spack_foss-2022a_serial -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
cmake_foss_2022a_full_serial -1.058122525103050e+01 -7.111600197617918e-09 -9.094117899767158e-01 PASS
cmake_foss_2022a_min_serial -1.058122525103050e+01 -7.111600197617918e-09 -9.094117899767158e-01 PASS
spack_foss-2022a_ppc -1.058122525104036e+01 -7.121460754433429e-09 -9.106727307459628e-01 PASS
spack_foss-2023a_mpi_min -1.058122523680631e+01 7.112587852020624e-09 9.095380884936860e-01 PASS
cmake_foss_2022a_min_mpi -1.058122523680676e+01 7.112134881026577e-09 9.094801638141403e-01 PASS
cmake_foss_2022a_full_mpi -1.058122523680668e+01 7.112221922511708e-09 9.094912944388374e-01 PASS
spack_foss-2022a_cuda_serial -1.058122525102990e+01 -7.110999789006200e-09 -9.093350113818671e-01 PASS
spack_foss-2023a_mpi -1.058122523680671e+01 7.112193500802277e-09 9.094876599491404e-01 PASS
spack_foss-2022a_mpi_min -1.058122523680631e+01 7.112587852020624e-09 9.095380884936860e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.058122523680665e+01 7.112246791507459e-09 9.094944746173222e-01 PASS
spack_foss-2022a_mpi -1.058122523680671e+01 7.112193500802277e-09 9.094876599491404e-01 PASS
spack_foss-2023a_mpi_debug -1.058122523680671e+01 7.112193500802277e-09 9.094876599491404e-01 PASS
spack_foss-2023a_serial -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
spack_foss-2023a_mpi_opt -1.058122523680668e+01 7.112221922511708e-09 9.094912944388374e-01 PASS
spack_foss-2023a_serial_min -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
spack_foss-2023a_serial_debug -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
spack_foss-2023a_mpi_omp -1.058122523680681e+01 7.112092248462432e-09 9.094747120795948e-01 PASS
spack_foss-2023a_serial_opt -1.058122525103050e+01 -7.111600197617918e-09 -9.094117899767158e-01 PASS
spack_foss-2023b_serial -1.058122525102723e+01 -7.108328148319742e-09 -9.089933693503507e-01 PASS
spack_foss-2023a_serial_omp -1.058122525102786e+01 -7.108962307711408e-09 -9.090744639017146e-01 PASS
spack_intel-2023a_serial -1.058122525103087e+01 -7.111973232554192e-09 -9.094594926539887e-01 PASS
spack_intel-2022a_serial_omp -1.058122525102607e+01 -7.107175292730972e-09 -9.088459453620169e-01 PASS
spack_intel-2023a_serial_omp -1.058122525102607e+01 -7.107175292730972e-09 -9.088459453620169e-01 PASS
spack_intel-2023a_impi -1.058122523680660e+01 7.112296529498963e-09 9.095008349742919e-01 PASS
spack_intel-2022a_impi_omp -1.058122523680602e+01 7.112880950899125e-09 9.095755691686861e-01 PASS
spack_foss-2023a_valgrind -1.058122525102833e+01 -7.109429489560171e-09 -9.091342058261088e-01 PASS