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cluster:116 [2013/07/11 19:35] hmeij |
cluster:116 [2014/02/04 18:57] (current) hmeij |
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**[[cluster: | **[[cluster: | ||
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+ | Since deployment of sharptail the information below is out of date. /home is now the same across the entire HPCC and served out by sharptail. | ||
+ | |||
+ | --- // | ||
===== Sharptail Cluster ===== | ===== Sharptail Cluster ===== | ||
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==== /sanscratch ==== | ==== /sanscratch ==== | ||
- | Sharptail will provide the users (and scheduler) with another 5 TB scratch file system. | + | Sharptail will provide the users (and scheduler) with another 5 TB scratch file system. |
* Please offload as much IO from /home by staging your jobs in /sanscratch | * Please offload as much IO from /home by staging your jobs in /sanscratch | ||
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In both cases you do not need to target any specific core, the operating system will handle that part of the scheduling. | In both cases you do not need to target any specific core, the operating system will handle that part of the scheduling. | ||
+ | |||
+ | ==== NOTE ==== | ||
+ | |||
+ | |||
+ | ---- | ||
+ | |||
+ | Instructions below are obsolete, resources are now available via the scheduler. | ||
+ | |||
+ | Please read [[cluster: | ||
+ | |||
+ | --- // | ||
+ | |||
+ | ---- | ||
==== CPU-HPC ==== | ==== CPU-HPC ==== | ||
- | With hyperthreading on the 5 nodes, it provides for 160 cores. | + | With hyperthreading on the 5 nodes, it provides for 160 cores. |
So since there is no scheduler, you need to setup your environment and execute your program. | So since there is no scheduler, you need to setup your environment and execute your program. | ||
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[[cluster: | [[cluster: | ||
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+ | Note: ran out of time to get an example running but it should follow the LAMMPS approach of above pretty closely. | ||
+ | |||
+ | Here is quick Amber example | ||
+ | |||
+ | < | ||
+ | |||
+ | [hmeij@sharptail nucleosome]$ export AMBER_HOME=/ | ||
+ | |||
+ | # find a GPU ID with gpu-info then expose that GPU to pmemd | ||
+ | [hmeij@sharptail nucleosome]$ export CUDA_VISIBLE_DEVICES=1 | ||
+ | |||
+ | # you only need one cpu core | ||
+ | [hmeij@sharptail nucleosome]$ mpirun_rsh -ssh -hostfile ~/ | ||
+ | / | ||
+ | |||
+ | </ | ||
+ | |||
+ | |||
NAMD was compiled with the built-in multi-node networking capabilities, | NAMD was compiled with the built-in multi-node networking capabilities, |