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
- 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.
- Be sure the message passing interface works properly. If not, please solve it immediately.
- 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.
- 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
- As for the Python script, the mpi4py package can be used to implement parallelism.
- Even the iQIST is compiled as a paralleled program, it still can run in a sequential mode.