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cluster:218 [2022/06/30 17:54] hmeij07 [Testing!] |
cluster:218 [2022/07/01 14:50] hmeij07 [CentOS7 Slurm Template] |
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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> |
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/amber20/amber.sh |
# stage the data | # stage the data |