[Wien] memory configuration for k-point parallelization

[Tomohiko Tasaka]

Dear wien2k users,

 

I heard that the k-point parallel calculation with wien2k old version

needs huge physical memory for a master node. The reason is that

the master node (job submitting node) collects many distributed results

which are calculated by each calculation node, at the same time.

Therefore, there is difficulty in executing k-point parallel calculation

for the large system (e.g. 100 atoms per unit cell).

 

is this correct regardless of the version? please advise.

 

Any information would be appreciated.

 

With best regards,

Tomo

 

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