This subpanel allows customization and override of how the job scripts on Windows (.bat files) are created. The default values are a good starting point, but you may choose to alter and extend these to meet your needs.

Parallel Execution (MPI) Settings: This text string provides the command syntax for the MPI mpirun, mpiexec command. The default value for the Parallel Execution command is

mpiexec -n @1 -localonly @FORTE

The @1 value is the 1st token (tokens are separated by spaces; spaces can be included in the token value if the string is enclosed in double quotes) in the MPI Arguments string provided in the Run Simulation panel when you submit your job. You can use up to 9 tokens @1..@9. The mpiexec -n <arg> syntax means use N parallel processes to run the job. The -localonly argument restricts mpiexec to only run processes on the local computer. The @FORTE argument fills in the Forte-specific command syntax that is ultimately executed by mpiexec. The exact syntax the @FORTE token generates depends on whether you are submitting Ansys Forte from the beginning of the run or using a restart option to pick up from a specific crank angle or time.

Environment Variables: This is a table of environment variables defined for the Windows environment. By default, we define MKL_NUM_THREADS to the value of 1. This restricts some of our numeric algorithms to only use 1 core per process. Since you are using MPI to control how many processes are being used, this prevents competition for core compute cycles from multiple processes. We strongly encourage you to leave this value as defined. The following environment variables are needed if the corresponding models are activated.