I am new in HPC and have some trouble in setting up openPBS on a Debian 10 (Buster) computer (only one computer, no cluster). I want to set it up for our workgroup to run ORCA and Gaussian for quantum chemistry. The aim is to enable the possibility for our group members to login via SSH to our computer and to submit their ORCA/Gaussian jobs to a queueing system which then starts to process them one after another. I initially started with SLURM but finally gave up on it after failing to get it to run. Now I wanted to try openPBS. I am testing it on my Raspberry Pi with Raspbian Buster before trying it on the server. I followed the install manual for Debian 10 on github to build openPBS. Everything worked fine (except sudo tcl tk libical1a --> tcl command not found).
The services are running:
- sudo /etc/init.d/pbs status
pbs_server is pid 945
pbs_mom is pid 748
pbs_sched is pid 762
pbs_comm is 728
The command qstat -B got me a connection error (111) at first but I found the solution here and solved it by replacing the loopback in /etc/hosts with the IP of the system. Now qstat -B gives me:
Server Max Tot Que Run Hld Wat Trn Ext Status
raspberrypi 0 0 0 0 0 0 0 0 Active
The command pbsnodes -a returns:
- pbsnodes: Server has no node list
I tried to run a sleep job but qsub returns:
- qsub: No default queue specified
As I said I am not familiar with this kind of program and I am grateful for any help because I do not know how to proceed any further. Since the services are running I guess the problem will have to do something with the configuration or settings.