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Job Submission

The system is managed by the scheduler.

Please refer to the parallel server user manual for basic submitting jobs.

Making a job script

To execute a compiled executable file as a batch job, you need a job script to submit to the job scheduler.

Job Script

Please refer to following link.


After logon to pcc, sample script files can be found in the path below. Please copy it to your own directory before using

lmpcc: /Samples

Job submission

1. Submit the job script to the scheduler as below.

% qsub -q <Queue> <Script>

 

2. Job submission (with mail notification)
Notification of the starting / ending the job can be requested as below,

% qsub -q <Queue> -M <mail address> -m be <Script>

   -M <contact email>
   -m be    # b -> begin(Job starting) , e -> end(Job ending)

 

3. Job deletion
Only the owner of the job can delete his already submitted jobs

% qdel <Job id>

 

 

Queue classes

For Single Node(Large Memory Cluster):

Queue Node Cores Memorywalltime Number of simultaneous jobs(per user)
SINGLE ~0.25node ~16core ~384GB1week 90(16)job
SINGLE-4
~1node ~64core ~1.5TB1week 20(16)job
LONG ~0.25node ~16Core ~384GB3week 16(4)job

For SuperLarge node (12TB, 6TB memory server) :

Queue Cores Memorywalltime Number of simultaneous jobs(per user)
XLARGE-6T ~72Core 6TB1week 2(1)job
XLARGE-12T ~144Core 12TB1week 4(1)job

FLOAT (preemption:The queue might be started regardless of type of CPU):

Queue Cores Memorywalltime Number of simultaneous jobs(per user)
TINY ~64Core ~1TB1hour 32(-)job
FLOAT ~16Core ~384GB1week 90(16)job

For Materials Studio:

Queue Node Core Memorywalltime Number of simultaneous jobs(per user)
MatStudio 0.125node ~8core ~192GB1week 40(40)job
MS_Dmol3 0.125node~8core ~192GB1week 90(32)job
MS_Castep 0.125node ~8core ~192GB1week 60(32)job
MS_Forcite 0.125node ~8core ~192GB1week 2(2)job
MS_Compass 0.125node ~8core ~192GB1week 1(1)job
MS_Amorphous 0.125node ~8core ~192GB1week 1(1)job
MS_Dftbplus 0.125node ~8core ~192GB1week 1(1)job
  • MatStudioキューのみMaterials Studio Gatewayユーザ専用キューとなります.
  • その他のキューに投入されたジョブは,各ライセンスが利用可能になるまで実行を待機します.

For Multi Nodes:

  • 通常,MPI等を利用しない場合はジョブのマルチノード化はできません
    (ジョブは正常に開始しますが,実際の計算はシングルノード内のみで実行されます)
Queue Node Core walltime Number of simultaneous jobs(per user)
SMALL 2~4node ~256core 1week 8(4)job
LARGE 5~8node ~512core 48hour 2(1)job

Request only:

Queue Node Core walltime
LONG-XL ~node - (申請ベース)