Execute codes

There are also several ways to execute the quantum impurity solvers in the iQIST software package.

Parallelism mode

$ mpiexec -n num_of_cores iqist/build/ctqmc

Sequential mode

$ ./iqist/build/ctqmc

Fortran library mode

$ mpiexec -n num_of_cores your_fortran_program

or

$ ./your_fortran_program

Python module mode

mpiexec -n num_of_cores your_python_script.py

or

$ ./your_python_script.py

NOTE:

1. Be sure all of the input files are ready and in correct position. Sometimes the quantum impurity solvers can run without any inputs, but the results may be completely wrong.

2. Be sure the message passing interface works properly. If not, please solve it immediately.

3. If you are using a queue system to manage the computational jobs, please edit the submit script by yourself. We could not provide further help.

4. Sometimes, you want to use the multi-thread technology (OpenMP) to accelerate the quantum impurity solvers in the share memory architecture, it is wise to setup the number of threads in advance. For example:

   $ export OMP_NUM_THREADS=number_of_cpu_cores_per_node
   

5. As for the Python script, the mpi4py package can be used to implement parallelism.

6. Even the iQIST is compiled as a paralleled program, it still can run in a sequential mode.