The ABINIT Users Mailing List ( CLOSED )

["Durgun Engin" <Engin.Durgun@ulg.ac.be>]

First of I would like to thank you for your responses. I have one final
question. As you mentioned I switched to new version. (abinip5.5.2) and
try to perform the same calcuations with 2, 4, and 8 processors. For each
calculation I am still receiving "nproc =4  .= kpoint =1*nsppol =1 the
number of processors is larger than nkpt. This is a waste." Shall I ignore
this warning? And for the time:

2cpu: 188 sec per cpu
4cpu:197 sec per cpu
8cpu:191 sec per cpu

An increase in speed can not be noticed. Do you have an idea about what i
am doing wrong? Thank you in advance...

Engin


nband   16
iscf    5
nstep   100
toldfe  1.0d-5

npband 2 (4 and 8)
npfft 1
timopt -1
fftalg 401
wfoptalg 4
fft_opt_lob 2
iprcch 0
intxc 0
nloalg 4
istwfk 1

# System
acell  18.0 18.0 18.0
angdeg 60.0 60.0 60.0
ecut   30.0
natom  2
ntypat 1
znucl  79
typat  1 1
xangst
   0.0 0.0 -1.3550
   0.0 0.0  1.3550

# Common parameters
ixc    1
nkpt   1
kpt    0.0 0.0 0.0
wtk    1.0
occopt 1
diemac 1.0


------------------------------------------------------------------
Engin Durgun
University of Liege
Physics Department, Bat. B5    Phone : ++(32) (0)4-366.36.12
B-4000 Sart Tilman             Fax : ++(32) (0)4-366.36.29
Belgium                        e-mail: engin.durgun@ulg.ac.be
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