relax real_time/14-absorption-spinors.test tolerances
Description
The tolerance for the real_time/14-absorption-spinors.test seems to be too tight.
Failed tests
real_time/14-absorption-spinors.04-spectrum.inp
-----------------------------------------
Match Static polarizability :
Calculated value : 15.576769
Reference value : 15.5767865
Difference : 1.75000000002257e-05
Deviation [%] : 0.000112346664058249
Tolerance : 1.04e-05
Tolerance [%] : 6.67660174966127e-05
Static polarizability : [ FAIL ]
-----------------------------------------
Match Sigma 1 :
Calculated value : 0.56267133E-01
Reference value : 0.0562672295
Difference : 9.65000000047178e-08
Deviation [%] : 0.000171503023806633
Tolerance : 6.33e-08
Tolerance [%] : 0.000112498874678022
Sigma 1 : [ FAIL ]
-----------------------------------------
Match Anisotropy 1 :
Calculated value : 0.63758260E-01
Reference value : 0.0637584315
Difference : 1.71500000006874e-07
Deviation [%] : 0.000268984032342255
Tolerance : 1.13e-07
Tolerance [%] : 0.000177231461536189
Anisotropy 1 : [ FAIL ]
-----------------------------------------
Match Sigma 2 :
Calculated value : 0.19591324E+00
Reference value : 0.195913505
Difference : 2.64999999999294e-07
Deviation [%] : 0.000135263773673639
Tolerance : 1.59e-07
Tolerance [%] : 8.11582642043998e-05
Sigma 2 : [ FAIL ]
-----------------------------------------
Match Anisotropy 2 :
Calculated value : 0.21110915E+00
Reference value : 0.2111096
Difference : 4.5000000001294e-07
Deviation [%] : 0.000213159420515666
Tolerance : 2.75e-07
Tolerance [%] : 0.000130264090311383
Anisotropy 2 : [ FAIL ]
-----------------------------------------
Match Sigma 3 :
Calculated value : 0.33564192E+00
Reference value : 0.335642185
Difference : 2.64999999999294e-07
Deviation [%] : 7.89531268244168e-05
Tolerance : 1.48e-07
Tolerance [%] : 4.40945764907352e-05
Sigma 3 : [ FAIL ]
-----------------------------------------
Match Anisotropy 3 :
Calculated value : 0.33927113E+00
Reference value : 0.33927155
Difference : 4.20000000000975e-07
Deviation [%] : 0.000123794641785017
Tolerance : 2.42e-07
Tolerance [%] : 7.13292935997728e-05
Anisotropy 3 : [ FAIL ]
-----------------------------------------
Match Sigma 4 :
Calculated value : 0.37639041E+00
Reference value : 0.37639047999999997
Difference : 7.00000000186662e-08
Deviation [%] : 1.85977073646141e-05
Tolerance : 4.4e-08
Tolerance [%] : 1.16899874832116e-05
Sigma 4 : [ FAIL ]
-----------------------------------------
Match Anisotropy 4 :
Calculated value : 0.35724785E+00
Reference value : 0.357247955
Difference : 1.05000000027999e-07
Deviation [%] : 2.93913508974458e-05
Tolerance : 6.05e-08
Tolerance [%] : 1.69350164649648e-05
Anisotropy 4 : [ FAIL ]
-----------------------------------------
Match Sigma 10 :
Calculated value : 0.18981788E-01
Reference value : 0.018981754500000003
Difference : 3.34999999962449e-08
Deviation [%] : 0.000176485266397502
Tolerance : 2.58e-08
Tolerance [%] : 0.000135919996225849
Sigma 10 : [ FAIL ]
-----------------------------------------
Match Anisotropy 10 :
Calculated value : 0.19629961E-01
Reference value : 0.0196299055
Difference : 5.55000000020123e-08
Deviation [%] : 0.00028273187561709
Tolerance : 4.24e-08
Tolerance [%] : 0.000215996964427567
Anisotropy 10 : [ FAIL ]
-----------------------------------------
Test environment
- CPU: Intel® Xeon® Platinum 8360Y
- Libraries: intel/21.2.0 gsl/2.4 libxc/4.3.4 cgal/5.2 cuda/11.2 impi/2021.2 hdf5-serial/1.8.22 metis/5.1 boost/1.74 mkl/2021.2 netcdf-serial/4.4.1 parmetis/4.0 gcc/10
- Configuration options : maxdim3 openmp mpi cuda sse2 avx
- Optional libraries : cgal metis mpi2 netcdf parmetis scalapack
- Architecture : x86_64
- C compiler : mpiicc (icc)
- C compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback
- C++ compiler : mpiicpc (icpc)
- C++ compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback -std=c++14
- Fortran compiler : mpiifort (ifort) (Intel(R) Fortran Intel(R) 64 Compiler Classic for applications running on Intel(R) 64, Version 2021.2.0 Build 20210228_000000)
- Fortran compiler flags : -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -g -traceback -fopenmp