Match comparison for Initial energy (match type 14049)

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Input 19-td_move_ions.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.964437839000000e+01 1.480000000000000e-09 -2.964437839000000e+01 3.552713678800501e-15 -2.964437839000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -29.644378389999996, precision: 0.00000000148
Run Value Difference Relative difference Status
spack_foss-2022a_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_ppc -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_mpi_min -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_mpi -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
cmake_foss_2022a_min_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
cmake_foss_2022a_full_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
cmake_foss_2022a_min_mpi -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_serial_min -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
cmake_foss_2022a_full_mpi -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_mpi_min -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_serial_min -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_mpi -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_mpi_opt -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_serial_debug -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_serial_opt -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_serial_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_mpi_debug -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023b_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2023a_mpi_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_cuda_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_foss-2022a_cuda_mpi_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_intel-2023a_serial -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_intel-2022a_serial_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_intel-2023a_serial_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_intel-2023a_impi -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS
spack_intel-2022a_impi_omp -2.964437839000000e+01 -3.552713678800501e-15 -2.400482215405744e-06 PASS