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lower the current test precision for periodic_systems/17-aluminium.02-td

Meisam Tabriz requested to merge adjust_test_tolerance into develop

Description

The tolerance for the periodic_systems/17-aluminium.02-td test seems to be too tight.

Failed Tests

Match  Current      [step  75]  :

   Calculated value : 5.215900449153e+00
   Reference value  : 5.2159004382020004
   Difference       : 1.09509992185508e-08
   Deviation [%]    : 2.09954145948495e-07
   Tolerance        : 1e-08
   Tolerance [%]    : 1.91721450945623e-07

  Current      [step  75]               :	 [  FAIL  ]

Match  Current      [step 125]  :

   Calculated value : -5.882323533101e+00
   Reference value  : -5.882323521279
   Difference       : 1.18220002676139e-08
   Deviation [%]    : 2.00975009702347e-07
   Tolerance        : 1e-08
   Tolerance [%]    : 1.70000850239289e-07

  Current      [step 125]               :	 [  FAIL  ]

Test environment

  • CPU : Intel Xeon Gold 6148
  • Libraries : intel/19.0.4, mkl/2019.4, fftw-mpi/3.3.8, netcdf-serial/4.4.1, impi/2019.4, gsl/2.4, hdf5-serial/1.8.21, libxc/4.3.4
  • Configuration options : max-dim=3 openmp mpi sse2 avx libxc4
  • Optional libraries : metis mpi2 netcdf scalapack
  • Architecture : x86_64
  • C compiler : mpiicc -std=gnu99 (icc)
  • C compiler flags : -g -traceback -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -fzero-initialized-in-bss
  • C++ compiler : g++ -std=c++11
  • C++ compiler flags : -g -O2
  • Fortran compiler : mpiifort (ifort) (Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 19.0.4.243 Build 20190416)
  • Fortran compiler flags : -g -traceback -O3 -xCORE-AVX512 -qopt-zmm-usage=high -fma -ip -fzero-initialized-in-bss -init=arrays -init=zero –fopenmp

Checklist

  • [N/A] I have checked that my code follows the Octopus coding standards
  • [N/A] I have added tests for all the new features added in this request.

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