On Fri, Dec 17, 2021 at 6:42 AM pranav kumar wrote:
*nk nb time(sec)*
>
> 1 1 2062 1 1633 1 1444 1 1386 1 1388 1 13112 1 141
>
> this is the expected behavior: you are decreasing the number of processors
for plane-wave parallelization while increasing the number of processors
for k-point parallel
I took a simple 32-atom supercell of aluminum. Here is the input:
control
calculation='scf'
restart_mode='from_scratch',
pseudo_dir = '.'
outdir=./tmp/,
prefix='al'
tprnfor = .true.
tstress = .true.
disk_io='none'
/
&system
ibrav= 0, A=4.05, nat= 32, ntyp= 1
