Running FIDASIM is as easy as running
lstagner@computer:~/FIDASIM$ ./fidasim
____ ____ ___ ___ ____ ____ __ ___
/ __// _// _ \ / _ | / __// _// |/ /
/ _/ _/ / / // // __ | _\ \ _/ / / /|_/ /
/_/ /___//____//_/ |_|/___//___//_/ /_/
Version: 3.0.0-dev
FIDASIM is released as open source code under the MIT Licence.
For more information visit http://d3denergetic.github.io/FIDASIM/
Actually having FIDASIM produce something takes a bit of thought
The following settings will give a reasonable runtime.
By default FIDASIM will use all the threads available. If another process is hogging a core it will cause FIDASIM to stall. To prevent this use the num_threads
optional argument
The following settings will give a reasonable runtime.
For OpenMP parallelized FIDASIM run with 16 threads run
[lstagner@dawson061]% ./fidasim /p/fida/lstagner/TEST/test_inputs.dat 16
For MPI parallelized FIDASIM run with 16 processes run
[lstagner@dawson061]% mpirun -np 16 ./fidasim /p/fida/lstagner/TEST/test_inputs.dat
The recommended way of running FIDASIM is through a job schedular such as Slurm or PBS.
FIDASIM provides submit_fidasim
: a python script that schedules a FIDASIM job on a cluster. For example
lstagner@computer:~$ submit_fidasim /u/lstagner/TEST
will submit any incomplete FIDASIM runs in the /u/lstagner/TEST
directory. Alternatively
lstagner@computer:~$ submit_fidasim /u/lstagner/TEST/test_inputs.dat
will submit just the test
FIDASIM run.
Slurm and PBS resource managers are supported. submit_fidasim
works for both OpenMP and MPI. Run submit_fidasim -h
for the full documentation.