... | ... | @@ -34,9 +34,12 @@ 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.
|
|
|
|
|
|
## Specific Codes
|
|
|
### LAMMPS
|
|
|
Has undergone only minimal testing via the examples. Additionally I may have not built important extensions, I don't know which user written extensions are usually used. Happy to build these.
|
|
|
|
|
|
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..
|
|
|
### VASP
|
|
|
The vasp module is optimized for oicphase5 and may not run at all on other phases. It is significantly better than some previous builds and has the newest patches as well as the CNMS extensions. If a PBS script like the provided example is used another 50-100% speed up can be achieved.
|
|
|
|
|
|
[vasp pbs example](https://code.ornl.gov/CNMS/CNMS_Computing_Resources/blob/master/OIC/VASP/vasp_job.pbs)
|
|
|
|