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NAMD: Difference between revisions
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→NAMD 3
(NAMD 3) |
(→NAMD 3) |
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After this the namd3 executable located in that directory will be linking to the correct libraries on our systems. | After this the namd3 executable located in that directory will be linking to the correct libraries on our systems. | ||
You can then submit a GPU job that uses that executable. | You can then submit a GPU job that uses that executable. | ||
In order to enable high-performance GPU-resident integration, you must add the following keyword to the configuration file: | |||
'''CUDASOAintegrate on''' | |||
= References = <!--T:23--> | = References = <!--T:23--> | ||