Match comparison for Stress (32) (match type 29821)

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.173643740000001e-19 2.660000000000000e-18 1.486048708104166e-19 1.245046834181680e-18 -1.016655883000000e-18 2.870059610000000e-18 FAIL

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.0000000000000000005173643740000001, precision: 0.00000000000000000266
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
cmake_foss_2022a_full_mpi -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
cmake_foss_2022a_min_serial 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
cmake_foss_2022a_min_mpi -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2022a_serial_min 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_foss-2022a_serial 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_foss-2022a_mpi_min -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2022a_mpi -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2023a_mpi_min -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2023a_mpi -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2023a_serial 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_foss-2023a_mpi_opt -1.116330765000000e-20 5.062010663500000e-19 1.903011527631579e-01 PASS
spack_foss-2023a_serial_min 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_foss-2023a_serial_opt 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_foss-2023a_serial_omp -1.527257815000000e-18 -1.009893441000000e-18 -3.796591883458647e-01 PASS
spack_foss-2023a_mpi_omp -2.232012948000000e-18 -1.714648574000000e-18 -6.446047270676691e-01 PASS
spack_foss-2023b_serial 1.130919222000000e-18 1.648283596000000e-18 6.196554872180451e-01 PASS
spack_intel-2022a_serial_omp 2.427196537000000e-19 7.600840277000000e-19 2.857458750751879e-01 PASS
spack_intel-2023a_serial -3.886715493000000e-18 -3.369351119000000e-18 -1.266673353007519e+00 FAIL
spack_intel-2023a_serial_omp -4.519381169000000e-19 6.542625710000010e-20 2.459633725563913e-02 PASS
spack_intel-2023a_impi -1.439218648000000e-19 3.734425092000001e-19 1.403919207518797e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.649365660000000e-19 1.524278080000001e-19 5.730368721804514e-02 PASS
spack_foss-2022a_cuda_serial 1.853403727000000e-18 2.370768101000000e-18 8.912662033834587e-01 PASS
spack_intel-2022a_impi_omp 1.107965700000000e-18 1.625330074000000e-18 6.110263436090225e-01 PASS