... | ... | @@ -27,12 +27,16 @@ currently the modules for vasp, lammps have been tested |
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module load module_name
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```
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to see what they provide
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### to see what they provide
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```shell-session
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module show module_name
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```
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## Performance on OICPHASE 5
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The AMD Interlagos chip has only one FPU per two integer unit cores. As a result for almost all scientific software it can only hurt you to run every core on a node. However only running one core of each pair is a bit of a challenge in the OIC environment. Please see the method in the PBS examples. This results in a 50-100% speed up in VASP and should have a similar effect whenever the code is primarily doing floating point operations.
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lammps has undergone only minimal testing via the examples.
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And example PBS script is provided in this repo, please clone the repo if you have examples to share. But please work on a branch not master..
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[vasp pbs example](https://code.ornl.gov/CNMS/CNMS_Computing_Resources/blob/master/OIC/VASP/vasp_job.pbs) |