Relax real_time/01-propagators.test tolerances
Description
The tolerance for the real_time/01-propagators.test seems to be too tight.
Failed test
real_time/01-propagators.02-expmid.inp
-----------------------------------------
Match Forces [step 1] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 1] : [ FAIL ]
-----------------------------------------
real_time/01-propagators.03-etrs_taylor.inp
-----------------------------------------
Match Forces [step 0] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 0] : [ FAIL ]
-----------------------------------------
real_time/01-propagators.04-etrs_lanczos.inp
-----------------------------------------
Match Forces [step 0] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 0] : [ FAIL ]
-----------------------------------------
real_time/01-propagators.05-etrs_chebyshev.inp
-----------------------------------------
Match Forces [step 0] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 0] : [ FAIL ]
-----------------------------------------
real_time/01-propagators.06-aetrs.inp
-----------------------------------------
Match Forces [step 0] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 0] : [ FAIL ]
-----------------------------------------
real_time/01-propagators.08-cn.inp
-----------------------------------------
Match Forces [step 0] :
Calculated value : 8.598284572892e-02
Reference value : 0.085982840216105
Difference : 5.51281499616696e-09
Deviation [%] : 6.41152930318576e-06
Tolerance : 5.3e-09
Tolerance [%] : 6.1640206193227e-06
Forces [step 0] : [ 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