Match comparison for LDA Total Energy (match type 21063)

Commits > Commit a707423db2dcfe1920cae26cacaed48d94544399 > Input 01-xc_1d.01-wfs-lda.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.179676910000000e+00 1.000000000000000e-04 -4.179651570000000e+00 0.000000000000000e+00 -4.179651570000000e+00 0.000000000000000e+00 PASS

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Detailed information

Reference: -4.17967691, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
cmake_foss_2022a_full_serial -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
cmake_foss_2022a_min_serial -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
cmake_foss_2022a_full_mpi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
cmake_foss_2022a_min_mpi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022a -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_fosscuda-2022a -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022a_debug -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022a_mpi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022b_libxc6 -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
foss-2022a_opt -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022a -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022b_libxc6_mpi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
foss-2022a_omp -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022b -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022a_valgrind -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
spack_foss-2022a_serial -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_foss-2022a_mpi_debug -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022a_omp -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022a_impi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022b_impi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
foss-2022a_mpi_omp -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
eb_fosscuda-2022a_mpi_omp -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
spack_foss-2022a_serial_min -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
spack_foss-2022a_serial_opt -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
spack_foss-2022a_serial_debug -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
spack_foss-2022a_serial_omp -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS
intel-2022a_omp_impi -4.179651570000000e+00 2.534000000053993e-05 2.534000000053993e-01 PASS