Match comparison for Exchange energy (match type 29809)

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.895537000000000e+00 1.950000000000000e-07 -3.895537036785715e+00 4.598552344856513e-08 -3.895537000000000e+00 8.999999989711682e-08 PASS
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Detailed information

Reference: -3.895537, precision: 0.000000195
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -3.895537060000000e+00 -6.000000007944095e-08 -3.076923080996972e-01 PASS
spack_foss-2023a_mpi -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
cmake_foss_2022a_full_mpi -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
cmake_foss_2022a_min_serial -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
cmake_foss_2022a_full_serial -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_mpi_debug -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
cmake_foss_2022a_min_mpi -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_serial -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_serial_min -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_mpi -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_mpi_min -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_mpi_min -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_mpi_opt -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_serial -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_serial_min -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_serial_debug -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.895537020000000e+00 -1.999999987845058e-08 -1.025641019407722e-01 PASS
spack_foss-2023a_serial_opt -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023a_serial_omp -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2022a_cuda_serial -3.895537020000000e+00 -1.999999987845058e-08 -1.025641019407722e-01 PASS
spack_foss-2023a_mpi_omp -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_foss-2023b_serial -3.895537050000000e+00 -5.000000014021566e-08 -2.564102571293111e-01 PASS
spack_intel-2023a_serial -3.895537080000000e+00 -7.999999995789153e-08 -4.102564100404694e-01 PASS
spack_intel-2022a_serial_omp -3.895536910000000e+00 8.999999989711682e-08 4.615384610108555e-01 PASS
spack_intel-2023a_serial_omp -3.895536910000000e+00 8.999999989711682e-08 4.615384610108555e-01 PASS
spack_intel-2023a_impi -3.895537080000000e+00 -7.999999995789153e-08 -4.102564100404694e-01 PASS
spack_intel-2022a_impi_omp -3.895536910000000e+00 8.999999989711682e-08 4.615384610108555e-01 PASS
spack_foss-2023a_valgrind -3.895537090000000e+00 -8.999999989711682e-08 -4.615384610108555e-01 PASS