| ... | @@ -5,18 +5,18 @@ W-SLDA Toolkit provides a script that can be used to estimate the number of GPUs |
... | @@ -5,18 +5,18 @@ W-SLDA Toolkit provides a script that can be used to estimate the number of GPUs |
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NX = 128
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NX = 128
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NY = 128
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NY = 128
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NZ = 16
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NZ = 16
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codedim=2 # dimensonality of code
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codedim=2 # dimensionality of code
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nwf=70141 # provide here number if you know it, otherwise the code will use simple estimate
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nwf=70141 # provide here the number if you know it, otherwise the code will use simple estimate
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mem_per_gpu = 16.0 # in GB
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mem_per_gpu = 16.0 # in GB
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min_mem_utilization = 2.0 # in GB
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min_mem_utilization = 2.0 # in GB
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```
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```
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Note that the number of wave-functions to be evolved is typically printed by `st-wslda` code when writing them to files. Optionally you can leave `nwf=None`, and then the script will use an estimate for this number.
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Note that the number of wave-functions to be evolved is typically printed by `st-wslda` code when writing them to files. Optionally, you can leave `nwf=None`, and then the script will use an estimate for this number.
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Running the script:
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Running the script:
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```bash
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```bash
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[gabrielw@wutdell tools]$ python td-memory.py
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[gabrielw@wutdell tools]$ python td-memory.py
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MINIMAL NUMBER OF GPUs=24
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MINIMAL NUMBER OF GPUs=24
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```
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```
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and plot like this will show up:
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and a plot like this will show up:
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To obtain a good performance of the code, it is recommended that the memory utilization of each GPU card is about 50% or more of its capacity. In the given example, it is recommended to run the code with the number of GPUs less than 50. |
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To achieve good code performance, it is recommended that each GPU card use about 50% or more of its capacity. In the given example, it is recommended to run the code with fewer than 50 GPUs. |
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