respected sir/ Users,
I am using a PC with intel i7 8th gen (with 12 cores)
32GB RAM and 2TB HDD with UBUNTU 18.04 LTS. I have installed
OpenBLAS-0.2.20 and using GNU FORTRAN and c compiler. I am trying to run a
system with 100 atoms only two cores are using the rest of them ar
Hii,
If you are doing k-point parallel calculation (having number of k-points in
IBZ more then 12) then use below script on terminal where you want to run
the calculation or use in your job script with -p option in run(sp)_lapw
(-so).
if anyone knows how to repeat a nth line m times in a file the
Hi Indranil,
While the k-point parallelization is usually the most efficient
(provided you have sufficient number of k-points) and does not need any
extra libraries, for 100atoms case it might be problematic to fit 12
processes into 32GB of memory. I assume you are already using it since
you clai
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