[Wien] k-point parallelization in WIEN2K_09.1

Kakhaber Jandieri Kakhaber.Jandieri at physik.uni-marburg.de
Sun Jun 13 20:19:04 CEST 2010


Dear WIEN2K users

Just in addition to my previous letter:

In (PMI + k-point) parallelization mode, WIEN2K_09.1 runs without error (in pure k-point parallelization mode it crashes in LAPW1, as I already wrote 
in my previous letter), but again with strange behaviour. 

My .machines file:

granularity:1
1:node119 node122
1:node130 node131
1:node127 node135
1:node120 node138
lapw0:node119:1 node122:1 node130:1 node131:1 node127:1 node135:1 node120:1 node138:1 

node119 is a master node.

In lapw1 four processes (for different k-points) run on node119,
node122, node131, node135, node138 contain single process per node,
node130, node127, node120 remain idle. 

I can't understand:

1) Why lapw1 works in combined parallelization mode, while it crashes in k-point parallelization mode.
2) Why node130, node127, node120 remain idle.

I will be thankful for any pointers.

Kakhaber Jandieri

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