scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

change ionode to meta_ionode in neb_verify_tmpdir. Problems with close 

statement solved!!!! NEB IS WORKING IN PARALLEL!


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7447 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
marsamos 2011-01-27 10:37:03 +00:00
parent 66ba7af36c
commit be1936af4a
2 changed files with 3 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
NEB/input.f90
View File

@ -23,7 +23,7 @@ SUBROUTINE ioneb(xmlinput,attr)
USE kinds, ONLY : DP
USE constants, ONLY : autoev, eV_to_kelvin, pi, rytoev, &
uakbar, amconv, bohr_radius_angs, eps8
USE io_global, ONLY : stdout, ionode
USE io_global, ONLY : stdout
!
!
USE io_files, ONLY : tmp_dir
@ -220,7 +220,7 @@ SUBROUTINE verify_neb_tmpdir( tmp_dir )
delete_if_present
USE path_variables, ONLY : num_of_images
USE mp_image_global_module, ONLY : mpime, nproc, nimage
USE io_global, ONLY : ionode
USE io_global, ONLY : meta_ionode
USE mp, ONLY : mp_barrier
USE xml_io_base, ONLY : copy_file
!
@ -249,7 +249,7 @@ SUBROUTINE verify_neb_tmpdir( tmp_dir )
! ... if starting from scratch all temporary files are removed
! ... from tmp_dir ( only by the master node )
!
IF ( ionode ) THEN
IF ( meta_ionode ) THEN
!
! ... files needed by parallelization among images are removed
!

1
NEB/make.depend
View File

@ -30,7 +30,6 @@ engine_to_path_pos.o : ../Modules/ions_base.o
engine_to_path_pos.o : ../Modules/kind.o
engine_to_path_pos.o : path_input_parameters_module.o
input.o : ../Modules/constants.o
input.o : ../Modules/input_parameters.o
input.o : ../Modules/io_files.o
input.o : ../Modules/io_global.o
input.o : ../Modules/kind.o