How to prevent SGE from assigning more nodes than I actually want for my VASP calculations?

Problems running VASP: crashes, internal errors, "wrong" results.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
hwang4

How to prevent SGE from assigning more nodes than I actually want for my VASP calculations?

#1 Post by hwang4 » Fri Jun 09, 2006 2:06 am

Every node of our computer has 2 dual-core cpu, i.e., 1 node=4 cores. I am using SGE to submit my parallel jobs. If I specify #$ -pe mpi 8 in my script, I am requesting 8 cores. But I don't have controlled on getting 2 nodes only. When some nodes are partially taken by some serial jobs of others, SGE will assign 3 nodes for my job, which greatly reduces the speed of the calculations. So I wonder whether SGE has some parameter to specify exactly how many nodes I want to use instead of cores? Thanks a lot
Last edited by hwang4 on Fri Jun 09, 2006 2:06 am, edited 1 time in total.

job
Jr. Member
Jr. Member
Posts: 55
Joined: Tue Aug 16, 2005 7:44 am

How to prevent SGE from assigning more nodes than I actually want for my VASP calculations?

#2 Post by job » Fri Jun 09, 2006 8:17 am

Ask your system admin to create a parallel environment with

allocation_rule 4

instead of the usual

allocation_rule $fill_up
Last edited by job on Fri Jun 09, 2006 8:17 am, edited 1 time in total.

hwang4

How to prevent SGE from assigning more nodes than I actually want for my VASP calculations?

#3 Post by hwang4 » Fri Jun 09, 2006 2:18 pm

Thanks a lot!
Last edited by hwang4 on Fri Jun 09, 2006 2:18 pm, edited 1 time in total.

Post Reply