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Relax finite_systems_3d/06-restart.test tolerances

Meisam Tabriz requested to merge meisam.tabriz-develop-patch-61737 into develop

Description

The tolerance for the finite_systems_3d/06-restart.test seems to be too tight.

Failed test

finite_systems_3d/06-restart.01-gs_mixrho.inp
-----------------------------------------
Match  Eigenvalue [up]  :

   Calculated value : -0.052855
   Reference value  : -0.052857
   Difference       : 2.000000000002e-06
   Deviation [%]    : 0.00378379401025787
   Tolerance        : 2e-06
   Tolerance [%]    : 0.00378379401025408

  Eigenvalue [up]                       :	 [  FAIL  ] 
-----------------------------------------


finite_systems_3d/06-restart.03-gs_mixvhxc.inp
-----------------------------------------
Match  Eigenvalue [up]  :

   Calculated value : -0.042220
   Reference value  : -0.042229
   Difference       : 9.00000000000206e-06
   Deviation [%]    : 0.0213123682777287
   Tolerance        : 2e-06
   Tolerance [%]    : 0.00473608183949419

  Eigenvalue [up]                       :	 [  FAIL  ] 
-----------------------------------------


finite_systems_3d/06-restart.04-restart_gs_mixvhxc.inp
-----------------------------------------
Match  Eigenvalue [up]  :

   Calculated value : -0.014416
   Reference value  : -0.014422
   Difference       : 6.0000000000008e-06
   Deviation [%]    : 0.0416031063652808
   Tolerance        : 2e-06
   Tolerance [%]    : 0.0138677021217584

  Eigenvalue [up]                       :	 [  FAIL  ] 
-----------------------------------------


finite_systems_3d/06-restart.05-restart_gs.inp
-----------------------------------------

Match Eigenvalue [up] :

   Calculated value : -0.014040
   Reference value  : -0.014047
   Difference       : 7.00000000000006e-06
   Deviation [%]    : 0.0498327044920628
   Tolerance        : 2e-06
   Tolerance [%]    : 0.0142379155691607

 Eigenvalue [up]                        :	 [  FAIL  ] 
-----------------------------------------

Test environment

  • CPU: Intel® Xeon® Platinum 8360Y
  • GPU: NVIDIA A100-SXM4-40GB
  • Libraries: gcc/10 gsl/2.4 libxc/5.1.2 cgal/5.2 impi/2021.2 hdf5-serial/1.8.21 metis/5.1 boost/1.74 mkl/2021.2 netcdf-serial/4.4.1 parmetis/4.0 cuda/11.2
  • Configuration options : maxdim3 openmp mpi cuda sse2 avx libxc5
  • Optional libraries : cgal metis mpi2 netcdf parmetis scalapack
  • Architecture : x86_64
  • C compiler : mpicc (gcc)
  • C compiler flags : -O3 -march=native -g
  • C++ compiler : mpicxx (g++)
  • C++ compiler flags : -O3 -march=native -g -std=c++14
  • Fortran compiler : mpif90 (gfortran) (GCC version 10.2.0)
  • Fortran compiler flags : -O3 -march=native -g -Wall -Wno-maybe-uninitialized -Wno-unused-dummy-argument -Wno-c-binding-type -fallow-argument-mismatch -fallow-invalid-boz

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