[Wien] scratch folder in k-point parallel calculation

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Thu Jun 27 22:33:25 CEST 2013


> I'm working on a cluster with many nodes. Each node has its own /scratch
> folder which cannot be accessed by other nodes. My own data folder is
> accessible to all nodes. When the WIEN2k scratch folder is set to './',
> everything works fine except that all the data write/read are done in my
> own data folder which slows down the system. When the WIEN2k scratch
> folder is set to '/scratch', then the scratch files such as case.vector_
> created on one node would not be visible to the other. This would not be
> a problem for lapw1 -p and lapw2 -p if each node sticks to certain k
> points and searches for scratch files related to these k-points. Is
> there a way of configuring WIEN2k to work in this manner?

The k-point parallelization scheme works exactly in this way (mpi 
parallelization is different).

STefaan




More information about the Wien mailing list