Match comparison for H3 Electrons (match type 15311)

Commits > Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 > Input 30-local_multipoles.02-multipoles.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.373541370224170e-01 4.190000000000000e-14 8.373541370224168e-01 2.341579414912258e-15 8.373541370224139e-01 5.662137425588298e-15 PASS

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Detailed information

Reference: 0.837354137022417, precision: 0.0000000000000419
Run Value Difference Relative difference Status
foss-2022a_ppc 8.373541370224082e-01 -8.770761894538737e-15 -2.093260595355307e-01 PASS
spack_foss-2022a_serial 8.373541370224162e-01 -7.771561172376096e-16 -1.854787869302171e-02 PASS
foss-2022a_opt 8.373541370224172e-01 2.220446049250313e-16 5.299393912291917e-03 PASS
spack_foss-2022a_serial_min 8.373541370224162e-01 -7.771561172376096e-16 -1.854787869302171e-02 PASS
eb_foss-2022a 8.373541370224178e-01 7.771561172376096e-16 1.854787869302171e-02 PASS
foss-2022a_omp 8.373541370224177e-01 6.661338147750939e-16 1.589818173687575e-02 PASS
spack_foss-2022a_serial_debug 8.373541370224162e-01 -7.771561172376096e-16 -1.854787869302171e-02 PASS
eb_foss-2022b_libxc6 8.373541370224180e-01 9.992007221626409e-16 2.384727260531363e-02 PASS
eb_fosscuda-2022a 8.373541370224177e-01 6.661338147750939e-16 1.589818173687575e-02 PASS
spack_foss-2022a_serial_omp 8.373541370224196e-01 2.553512956637860e-15 6.094302999135705e-02 PASS
eb_foss-2022a_debug 8.373541370224178e-01 7.771561172376096e-16 1.854787869302171e-02 PASS
spack_foss-2022a_serial_opt 8.373541370224166e-01 -4.440892098500626e-16 -1.059878782458383e-02 PASS
eb_foss-2022a_mpi 8.373541370224170e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6_mpi 8.373541370224171e-01 1.110223024625157e-16 2.649696956145958e-03 PASS
eb_fosscuda-2022a_mpi_omp 8.373541370224190e-01 1.998401444325282e-15 4.769454521062726e-02 PASS
eb_foss-2022a_mpi_debug 8.373541370224170e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_mpi_omp 8.373541370224182e-01 1.221245327087672e-15 2.914666651760554e-02 PASS
eb_foss-2022a_valgrind 8.373541370224147e-01 -2.331468351712829e-15 -5.564363607906513e-02 PASS