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expanse
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| expanse [2021/08/20 09:13] – edit | expanse [2021/08/22 18:49] (current) – edit | ||
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| Example files for equilibrium run (first-dyn.csh and first-dyn.scr) and production run (dyn.csh, dyn.scr, dyn-1.inp, and dyn-2.inp) could be found as follows:\\ | Example files for equilibrium run (first-dyn.csh and first-dyn.scr) and production run (dyn.csh, dyn.scr, dyn-1.inp, and dyn-2.inp) could be found as follows:\\ | ||
| - | For **CPU** nodes @ /expanse/ | + | For **CPU** nodes @ /home/mkhsieh/script/ |
| + | OR download {{ :cpu.tgz |}} \\ | ||
| Note: \\ | Note: \\ | ||
| Each standard compute node has ~256 GB of memory and 128 cores \\ | Each standard compute node has ~256 GB of memory and 128 cores \\ | ||
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| namd2 +p32 +setcpuaffinity dyn.inp >& dyn.out | namd2 +p32 +setcpuaffinity dyn.inp >& dyn.out | ||
| </ | </ | ||
| - | For **GPU** nodes @ /expanse/ | + | For **GPU** nodes @ /home/mkhsieh/script/ |
| + | OR download {{ :gpu.tgz |}} \\ | ||
| Note: \\ | Note: \\ | ||
| Each GPU node has 4 GPUs, ~384GB of memory and 40 cores \\ | Each GPU node has 4 GPUs, ~384GB of memory and 40 cores \\ | ||
expanse.1629465202.txt.gz · Last modified: 2021/08/20 09:13 by edit