Commit 778b9059 authored by giannozz's avatar giannozz

Final detalis for 5.1.2 release


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11416 c92efa57-630b-4861-b058-cf58834340f0
parent fb750d8e
......@@ -14,7 +14,7 @@ Incompatible changes in 5.1.2 version:
* PHonon: input variable iverbosity => verbosity
* The (undocumented) *.evp file of CP uses a slightly different format
(equally undocumented) since v.5.1.1. In order to use original format,
compiles with __OLD_FORMAT preprocessing variable on.
compile with __OLD_FORMAT preprocessing variable on.
Fixed in 5.1.2 version:
......@@ -30,6 +30,10 @@ Fixed in 5.1.2 version:
* Symmetry printout could lead to error exit in same cases
* Restarting from incomplete calculation could lead in some cases
to mysterious crashes due to usage of unitialized communicator
* PH: option only_init + US or PAW was not working.
* Minor printout bug: the printed number of symmetries with fractional
translations was sometimes incorrect in the noncollinear magnetic case.
Incompatible changes in 5.1.1 version:
......
......@@ -73,6 +73,8 @@ SUBROUTINE tg_cft3s( f, dfft, isgn, use_task_groups )
LOGICAL, OPTIONAL, INTENT(in) :: use_task_groups
! specify if you want to use task groups parallelization
!
! the following ifdef prevents usage of directive in older ifort versions
!
#if defined(__INTEL_COMPILER)
#if __INTEL_COMPILER >= 1300
!dir$ attributes align: 4096 :: yf, aux
......
......@@ -400,7 +400,8 @@ total magnetization is zero.
If \texttt{starting\_magnetization} is different from zero, it makes a
noncollinear spin polarized calculation with spin-orbit interaction. The
final spin magnetization might be zero or different from zero depending
on the system.
on the system. Note that the code will look only for symmetries that leave
the starting magnetization unchanged.
Furthermore to make a spin-orbit calculation you must use fully
relativistic pseudopotentials at least for the atoms in which you
......
......@@ -21,25 +21,25 @@ GIPAW_URL=$(URL)$(GIPAW).tar.gz
PLUMED=plumed-1.3-qe
PLUMED_URL=$(URL)$(PLUMED).tar.gz
#
LD1=atomic-5.1.1
LD1=atomic-5.1.2
LD1_URL=$(URL)$(LD1).tar.gz
#
XSPECTRA=xspectra-5.1.1
XSPECTRA=xspectra-5.1.2
XSPECTRA_URL=$(URL)$(XSPECTRA).tar.gz
#
PWCOND=pwcond-5.1.1
PWCOND=pwcond-5.1.2
PWCOND_URL=$(URL)$(PWCOND).tar.gz
#
NEB=neb-5.1.1
NEB=neb-5.1.2
NEB_URL=$(URL)$(NEB).tar.gz
#
PHONON=PHonon-5.1.1
PHONON=PHonon-5.1.2
PHONON_URL=$(URL)$(PHONON).tar.gz
#
TDDFPT=tddfpt-5.1.1
TDDFPT=tddfpt-5.1.2
TDDFPT_URL=$(URL)$(TDDFPT).tar.gz
#
GUI=PWgui-5.1
GUI=PWgui-5.1.2
GUI_URL=$(URL)$(GUI).tar.gz
#
GPU=v14.06.0
......
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