Match comparison for Kinetic energy (match type 22514)

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Input 07-mgga.04-br89_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.507938600000000e+01 3.600000000000000e-07 3.507938597086956e+01 6.177892098190086e-08 3.507938610500000e+01 1.549999986139028e-07 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: 35.079386, precision: 0.00000036
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
cmake_foss_2022a_full_mpi 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
cmake_foss_2022a_min_serial 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
cmake_foss_2022a_min_mpi 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2022a_serial_min 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2022a_serial 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2022a_mpi_min 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2022a_mpi 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_mpi_min 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_mpi 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_serial 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_mpi_opt 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_serial_min 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_serial_opt 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_serial_omp 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023a_mpi_omp 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_foss-2023b_serial 3.507938596000000e+01 -3.999999620418748e-08 -1.111111005671875e-01 PASS
spack_intel-2022a_serial_omp 3.507938595000000e+01 -4.999999703159119e-08 -1.388888806433089e-01 PASS
spack_intel-2023a_serial 3.507938595000000e+01 -4.999999703159119e-08 -1.388888806433089e-01 PASS
spack_intel-2023a_serial_omp 3.507938595000000e+01 -4.999999703159119e-08 -1.388888806433089e-01 PASS
spack_intel-2023a_impi 3.507938595000000e+01 -4.999999703159119e-08 -1.388888806433089e-01 PASS
spack_foss-2022a_cuda_serial 3.507938626000000e+01 2.600000001962144e-07 7.222222227672622e-01 PASS
spack_intel-2022a_impi_omp 3.507938595000000e+01 -4.999999703159119e-08 -1.388888806433089e-01 PASS