Owens
Environment changes in Slurm migration
As we migrate to Slurm from Torque/Moab, there will be necessary software environment changes.
Decommissioning old MVAPICH2 versions
Old MVAPICH2 including mvapich2/2.1
, mvapich2/2.2
and its variants do not support Slurm very well due to its life span, so we will remove the following versions:
- mvapich2/2.1
- mvapich2/2.2, 2.2rc1, 2.2ddn1.3, 2.2ddn1.4, 2.2-debug, 2.2-gpu
As a result, the following dependent software will not be available anymore.
HOWTO: Tune VASP Memory Usage
This article discusses memory tuning strategies for VASP.
Data Distribution
Typically the first approach for memory sensitive VASP issues is to tweak the data distribution (via NCORE or NPAR). The information at https://www.vasp.at/wiki/index.php/NPAR covers a variety of machines. OSC has fast communications via Infiniband.
HOWTO: Debugging Tips
This article focuses on debugging strategies for C/C++ codes, but many are applicable to other languages as well.
Rubber Duck Debugging
This approach is a great starting point. Say you have written some code, and it does not do what you expect it to do. You have stared at it for a few minutes, but you cannot seem to spot the problem.
OSC internal network problems 25 Sept. 2020
Pitzer expansion and slurm migration
Hyperworks 2020.0 is available on Owens
hyperworks 2020.0 is available on Owens. The state-wide license is available as well.
module load hyperworks/2020.0