Dear Prof. Peter Blaha,
Thank your for your reply!
Best,
On Wed, Nov 9, 2011 at 12:23 AM, Peter Blaha
wrote:
> The problem is the following:
>
> When doing a scf calculation (run_lapw -p), the
> x lapw1 -p step will use the.machines file
> for parallelization (usually created on the fly b
Dear all,
I use PBS system to submit jobs to a cluster with the K-point
parallelization mode. I intend to do a nos-scf calculation (soc) after a
scf calculation. In the scf calculation, the .machines files were created
by the script in the wien2k website. Then, I copy the directory including
the o
The problem is the following:
When doing a scf calculation (run_lapw -p), the
x lapw1 -p step will use the.machines file
for parallelization (usually created on the fly by the PBS job),
but at the same time it will create automatically a
.processes file, which will be used for parallelizati
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