Command to execute, parallelizationΒΆ
Normally you would run:
"$AMSBIN/reactions_discovery" < input_file.in > output_file.out
This will run in parallel and use as many cores as are available on the system or allocation.
You can also explicitly set the number of cores with the -n
flag.
For example, to run the reactions_discovery
program in serial, you would run:
"$AMSBIN/reactions_discovery" -n 1 < input_file.in > output_file.out
Or you could also run Reactions Discovery in Python (PLAMS).