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epd created page: OIC authored by Doak, Peter W.'s avatar Doak, Peter W.
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...@@ -27,12 +27,16 @@ currently the modules for vasp, lammps have been tested ...@@ -27,12 +27,16 @@ currently the modules for vasp, lammps have been tested
module load module_name module load module_name
``` ```
to see what they provide ### to see what they provide
```shell-session ```shell-session
module show module_name module show module_name
``` ```
## Performance on OICPHASE 5
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.
lammps has undergone only minimal testing via the examples. lammps has undergone only minimal testing via the examples.
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.. 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..
[vasp pbs example](https://code.ornl.gov/CNMS/CNMS_Computing_Resources/blob/master/OIC/VASP/vasp_job.pbs) [vasp pbs example](https://code.ornl.gov/CNMS/CNMS_Computing_Resources/blob/master/OIC/VASP/vasp_job.pbs)