Match comparison for Total energy (match type 22508)

Commits > Commit c18e6529b073b7f96582e125ea28d09e3ac5067c > Input 07-mgga.04-br89_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.672839925000000e+01 2.340000000000000e-07 -4.672839928923077e+01 8.284868325476439e-09 -4.672839927500000e+01 2.499999851579560e-08 PASS

Checks for this match

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

Reference: -46.72839925, precision: 0.000000234
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_serial_opt -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_serial_min -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2022a_serial -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_serial -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023b_serial -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2022a_ppc -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2022a_cuda_serial -4.672839925000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2022a_mpi_min -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_serial_omp -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_serial_debug -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_mpi_opt -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2022a_mpi -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_mpi -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_mpi_debug -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_foss-2023a_mpi_omp -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
cmake_foss_2022a_full_serial -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
cmake_foss_2022a_min_serial -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_intel-2023a_serial -4.672839930000000e+01 -4.999999703159119e-08 -2.136752009897059e-01 PASS
cmake_foss_2022a_min_mpi -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
cmake_foss_2022a_full_mpi -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_intel-2022a_impi_omp -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_intel-2022a_serial_omp -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_intel-2023a_serial_omp -4.672839929000000e+01 -3.999999620418748e-08 -1.709401547187499e-01 PASS
spack_intel-2023a_impi -4.672839930000000e+01 -4.999999703159119e-08 -2.136752009897059e-01 PASS