[Wien] Error in paralel Lapw1

Lyudmila Dobysheva lyuka17 at mail.ru
Tue Feb 9 09:57:13 CET 2021


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
------------------
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