Instead of using a script, the EDA program can be run through the PBS scheduler interactively. First, request a node for interactive submission with:
$ qsub -I -q my_cpu_alloc -N name-of-job-for-queue
After requesting a node, you can essentially follow through the start of the EDA script.
$ module load intel/17.0
$ cd /home/euid123/path/to/files
$ ifort Residue_E_Decomp_07_15.f90 -o Residue_E_Decomp_07_15.x
$ ./Residue_E_Decomp_07_15.x
Answer prompt 1 [Name of input file?]
Answer prompt 2 [Name of prmtop?]
Cntrl + Z
$ bg
$ top
The last three steps (Cntrl + Z through top) ensures that any ssh session
used to run the program won’t terminate due to a broken pipe.
The job is temporarily suspended, forced to run in the background, and top,
which refreshes every 5 seconds, is used to keep the connection alive.
When the program is no longer listed on top, then you can exit the node/ssh
connection.
Like before, Intel’s ifort compiler doesn’t need to be used; gcc’s gfortran can be used instead.