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Relax multisystem/12-electronic_subsystem_propagators.test tolerance

Meisam Tabriz requested to merge meisam.tabriz-develop-patch-16128 into develop

Description

The tolerance for the multisystem/12-electronic_subsystem_propagators.test seems to be too tight.

Failed test

Match   Initial energy   :

   Calculated value : -10.60766050
   Reference value  : -10.607660535
   Difference       : 3.50000011195561e-08
   Deviation [%]    : 3.2995023741638e-07
   Tolerance        : 2e-08
   Tolerance [%]    : 1.88542986778375e-07

   Initial energy                       :        [  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

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