Match comparison for Correlation energy (match type 12857)

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.387863770000000e+00 1.690000000000000e-07 -3.387863763333333e+00 1.885618071704337e-08 -3.387863770000000e+00 1.999999987845058e-08 PASS

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  • MPI builders have different values.
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Detailed information

Reference: -3.38786377, precision: 0.000000169
Run Value Difference Relative difference Status
foss-2022a_ppc -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
eb_fosscuda-2022a -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
cmake_foss_2022a_full_serial -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
cmake_foss_2022a_full_mpi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
cmake_foss_2022a_min_serial -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
cmake_foss_2022a_min_mpi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
eb_foss-2022a -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
eb_foss-2022a_debug -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
eb_foss-2022b_libxc6 -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
foss-2022a_opt -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
eb_foss-2022a_mpi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
foss-2022a_omp -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
eb_foss-2022b_libxc6_mpi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
intel-2022a -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
foss-2022a_mpi_omp -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
eb_foss-2022a_mpi_debug -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
intel-2022b -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
intel-2022a_omp -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
spack_foss-2022a_serial -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
intel-2022a_impi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS
spack_foss-2022a_serial_min -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
spack_foss-2022a_serial_omp -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
spack_foss-2022a_serial_debug -3.387863750000000e+00 1.999999987845058e-08 1.183431945470449e-01 PASS
intel-2022a_omp_impi -3.387863790000000e+00 -1.999999987845058e-08 -1.183431945470449e-01 PASS