Match comparison for Exchange energy (match type 30103)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.776230672000000e+01 9.680000000000001e-07 -2.776230700592593e+01 2.779989247472427e-07 -2.776230677000000e+01 4.899999996865745e-07 PASS

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Detailed information

Reference: -27.76230672, precision: 0.000000968
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -2.776230723000000e+01 -5.099999995650251e-07 -5.268595036828770e-01 PASS
spack_foss-2022a_ppc -2.776230717000000e+01 -4.499999981533165e-07 -4.648760311501203e-01 PASS
cmake_foss_2022a_min_serial -2.776230723000000e+01 -5.099999995650251e-07 -5.268595036828770e-01 PASS
cmake_foss_2022a_min_mpi -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS
cmake_foss_2022a_full_mpi -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS
spack_foss-2022a_mpi_min -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS
spack_foss-2022a_mpi -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS
spack_foss-2022a_serial -2.776230723000000e+01 -5.099999995650251e-07 -5.268595036828770e-01 PASS
spack_foss-2022a_serial_min -2.776230723000000e+01 -5.099999995650251e-07 -5.268595036828770e-01 PASS
spack_foss-2023a_mpi -2.776230710000000e+01 -3.799999994669179e-07 -3.925619829203696e-01 PASS
spack_foss-2023a_mpi_min -2.776230710000000e+01 -3.799999994669179e-07 -3.925619829203696e-01 PASS
spack_foss-2023a_serial_min -2.776230656000000e+01 1.600000025803183e-07 1.652892588639652e-01 PASS
spack_foss-2023a_serial -2.776230656000000e+01 1.600000025803183e-07 1.652892588639652e-01 PASS
spack_foss-2023a_mpi_opt -2.776230710000000e+01 -3.799999994669179e-07 -3.925619829203696e-01 PASS
spack_foss-2023a_mpi_debug -2.776230710000000e+01 -3.799999994669179e-07 -3.925619829203696e-01 PASS
spack_foss-2023a_serial_opt -2.776230656000000e+01 1.600000025803183e-07 1.652892588639652e-01 PASS
spack_foss-2023b_serial -2.776230656000000e+01 1.600000025803183e-07 1.652892588639652e-01 PASS
spack_foss-2023a_serial_debug -2.776230656000000e+01 1.600000025803183e-07 1.652892588639652e-01 PASS
spack_foss-2023a_serial_omp -2.776230705000000e+01 -3.299999988826130e-07 -3.409090897547655e-01 PASS
spack_intel-2022a_serial_omp -2.776230712000000e+01 -3.999999975690116e-07 -4.132231379845161e-01 PASS
spack_foss-2023a_mpi_omp -2.776230628000000e+01 4.400000008786265e-07 4.545454554531265e-01 PASS
spack_intel-2023a_serial -2.776230687000000e+01 -1.499999982002009e-07 -1.549586758266538e-01 PASS
spack_intel-2023a_impi -2.776230721000000e+01 -4.899999979102176e-07 -5.061983449485719e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS
spack_intel-2023a_serial_omp -2.776230726000000e+01 -5.399999984945225e-07 -5.578512381141761e-01 PASS
spack_intel-2022a_impi_omp -2.776230724000000e+01 -5.199999968397151e-07 -5.371900793798710e-01 PASS
spack_foss-2022a_cuda_serial -2.776230714000000e+01 -4.199999992238190e-07 -4.338842967188213e-01 PASS