[skip-CI] Yet another nasty test that for some mysterious reasons behaves

very differently in serial aand in parallel execution (39 vs 32-32 iterations)
This commit is contained in:
Paolo Giannozzi 2020-05-01 19:06:36 +00:00
parent 6edef47848
commit 83808656d7
2 changed files with 349 additions and 444 deletions

View File

@ -4,7 +4,7 @@
&system
ibrav = 3, celldm(1) =5.217, nat= 1, ntyp= 1,
ecutwfc = 25.0,ecutrho = 200.0,
occupations='smearing', smearing='marzari-vanderbilt', degauss=0.05
occupations='smearing', smearing='marzari-vanderbilt', degauss=0.04
noncolin = .true.
starting_magnetization(1) = 0.5
angle1(1) = 45.0