08.02.2021 14:24, Murat Aycibin wrote:
I took smaller k value 12 in 5x5x3 grid(100 k points i defined). I got
the same mistake. I have computer which has 64 GB Ramand i have 16 core
(intel xeon processes). My machine file is
03 Feb 2021 02:03:56 -0800, Murat Aycibin wrote:
> i have done initial calculation.
> everything is fine and no error. when i go for SCF i am getting below
> error. I checked several times my inputs, everything looks like fine,
> without supercell is working perfectly.
To be sure let's start from the beginning:
1) does the calculation of supercell work without parallelization?
2) I see that your machine file is:
.machines is the control file for parallel execution. Add lines like
#
# speed:machine_name
...
This is simply cat of .machine file but the
first line should contain #:
# .machines is the control file for parallel execution. Add lines like
...
Yours does not have it. Check.
And if the problem is not solved, describe in detail how you obtain the
error,your commands, reply of the computer and so forth.
Best wishes
--
Lyudmila Dobysheva
------------------
http://ftiudm.ru/content/view/25/103/lang,english/
Institute of Physics and Technology,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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