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cluster:218 [2022/06/30 17:50]
hmeij07 [CentOS7 Slurm Template] 		cluster:218 [2022/07/18 18:12]
hmeij07 [Basic Commands]
Line 47: Line 47:
 # sorta like bhosts -l # sorta like bhosts -l
  scontrol show node n78  scontrol show node n78
 +
 +# sorta like bstop/bresume
 +scontrol suspend job 1000001
 +scontrol resume job 1000001 
  
 # sorta like bhist -l # sorta like bhist -l
Line 336: Line 340:
  
  
-  * ''/zfshomes/hmeij/slurm/run.rocky''+  * ''/zfshomes/hmeij/slurm/run.rocky'' for tinymem, mw128, amber128, test queues
  
 <code> <code>
Line 379: Line 383:
 cd $MYLOCALSCRATCH cd $MYLOCALSCRATCH
  
-### AMBER20+### AMBER20 works via slurm's imaged nodes, test and amber128  queues
 #source /share/apps/CENTOS8/ohpc/software/amber/20/amber.sh #source /share/apps/CENTOS8/ohpc/software/amber/20/amber.sh
 # OR # # OR #
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 Note also that we're running mwgpu's K20 cuda version 9.2 on exx96 queue (default cuda version 10.2). Not proper but it works. Hence this script will run on both queues. Oh, now I remember, it is that amber16 was compiled with cuda 9.2 drivers which are supported in cuda 10.x but not in cuda 11.x. So Amber 16, if needed, would need to be compiled in Rocky8 environment (and may work like amber20 module). Note also that we're running mwgpu's K20 cuda version 9.2 on exx96 queue (default cuda version 10.2). Not proper but it works. Hence this script will run on both queues. Oh, now I remember, it is that amber16 was compiled with cuda 9.2 drivers which are supported in cuda 10.x but not in cuda 11.x. So Amber 16, if needed, would need to be compiled in Rocky8 environment (and may work like amber20 module).
  
-  * ''/zfshomes/hmeij/slurm/run.centos''+  * ''/zfshomes/hmeij/slurm/run.centos'' for mwgpu, exx96 queues
  
 <code> <code>
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-###source /usr/local/amber16/amber.sh + 
-source /usr/local/amber20/amber.sh+###source /usr/local/amber16/amber.sh # works via slurm's mwgpu 
 +source /usr/local/amber20/amber.sh # works via slurm's exx96
 # stage the data # stage the data
 cp -r ~/sharptail/* . cp -r ~/sharptail/* .
Line 567: Line 572:
 July 2022 is for **testing...** lots to learn! July 2022 is for **testing...** lots to learn!
  
-Kudos to Abhilash for working our way through all this.+Kudos to Abhilash and Colin for working our way through all this.
  
 \\ \\
 **[[cluster:0|Back]]** **[[cluster:0|Back]]**
  
cluster/218.txt · Last modified: 2023/10/14 19:24 by hmeij07

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