Match comparison for Total energy (match type 24570)

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Input 04-lithium.01-ground_state.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.178845955000000e+00 8.080000000000000e-07 -4.178845955357144e+00 2.120391160530531e-07 -4.178846210000000e+00 4.800000001914384e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -4.178845955, precision: 0.000000808
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
spack_foss-2022a_serial_min -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
foss-2022a_ppc -4.178845930000000e+00 2.500000029215244e-08 3.094059442098073e-02 PASS
spack_foss-2022a_serial_opt -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
spack_foss-2022a_serial -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
foss-2022a_opt -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
intel-2022b -4.178845840000000e+00 1.149999997451800e-07 1.423267323578961e-01 PASS
intel-2022a -4.178845840000000e+00 1.149999997451800e-07 1.423267323578961e-01 PASS
spack_foss-2022a_serial_omp -4.178846060000000e+00 -1.049999998059548e-07 -1.299504948093499e-01 PASS
cmake_foss_2022a_full_mpi -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
spack_foss-2022a_serial_debug -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
foss-2022a_omp -4.178846060000000e+00 -1.049999998059548e-07 -1.299504948093499e-01 PASS
intel-2022a_omp -4.178846690000000e+00 -7.350000004180401e-07 -9.096534658639110e-01 PASS
intel-2022b_impi -4.178845840000000e+00 1.149999997451800e-07 1.423267323578961e-01 PASS
intel-2022a_impi -4.178845840000000e+00 1.149999997451800e-07 1.423267323578961e-01 PASS
eb_fosscuda-2022a_mpi_omp -4.178846120000000e+00 -1.650000003294849e-07 -2.042079211998576e-01 PASS
eb_fosscuda-2022a -4.178846580000000e+00 -6.250000001983835e-07 -7.735148517306727e-01 PASS
cmake_foss_2022a_min_serial -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
foss-2022a_mpi_omp -4.178846060000000e+00 -1.049999998059548e-07 -1.299504948093499e-01 PASS
cmake_foss_2022a_min_mpi -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
eb_foss-2022a -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
eb_foss-2022b_libxc6 -4.178846030000000e+00 -7.499999998827889e-08 -9.282178216371149e-02 PASS
eb_foss-2022a_debug -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
intel-2022a_omp_impi -4.178846050000000e+00 -9.499999986672947e-08 -1.175742572608038e-01 PASS
eb_foss-2022a_mpi -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
eb_foss-2022b_libxc6_mpi -4.178846030000000e+00 -7.499999998827889e-08 -9.282178216371149e-02 PASS
eb_foss-2022a_mpi_debug -4.178845850000000e+00 1.049999998059548e-07 1.299504948093499e-01 PASS
eb_foss-2022a_valgrind -4.178845730000000e+00 2.249999999648367e-07 2.784653464911345e-01 PASS