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cluster:218 [2022/06/30 17:54] hmeij07 [Testing!] |
cluster:218 [2022/07/18 18:12] hmeij07 [Basic Commands] |
# sorta like bhosts -l | # sorta like bhosts -l |
scontrol show node n78 | scontrol show node n78 |
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| # sorta like bstop/bresume |
| scontrol suspend job 1000001 |
| scontrol resume job 1000001 |
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# sorta like bhist -l | # sorta like bhist -l |
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* ''/zfshomes/hmeij/slurm/run.rocky'' | * ''/zfshomes/hmeij/slurm/run.rocky'' for tinymem, mw128, amber128, test queues |
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<code> | <code> |
cd $MYLOCALSCRATCH | cd $MYLOCALSCRATCH |
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### 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 # |
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). |
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* ''/zfshomes/hmeij/slurm/run.centos'' | * ''/zfshomes/hmeij/slurm/run.centos'' for mwgpu, exx96 queues |
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<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/* . |