Yu,
In addition to the usersguide [1] describing use of "run_lapw -p" along
with an appropriately set up .machines file, don't forget about the
WIEN2k-notes of the University of Texas [2], the workshop video on
Parallelization [3], and mailing list archive for previous posts on the
topic of
Please carefully read the user guide -- "mpirun -np 4 run_lapw" is not how
it works.
Also, to use mpi you need scalapack, which you did not mention. If you only
have 4 cores you do not want to use mpi.
_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think
Dear W2k developers and users,
The wien2k version is 19.2 on Linux with gfortran, OpenBlas and openmpi.
Now executing parallel run_lapw occurs errors.
When I run the command ??run_lapw??, there is not any error. When I run the
command ??mpirun -np 4 run_lapw??, there are some errors. I
Dear wien2k community,
I am trying to use lapw7 to plot a particular wave function for the case with
spin-orbit switched on. In the manual it is mentioned that "It should be easy
to run lapw7 in parallel mode, and/or to apply it to wave function data obtained
by a spin-orbit interaction
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