In the NEB and other path calculations, the restart files are not saved in

"outdir/" but in "outdir/prefix_#/". Furthermore, if using more than one
image, the processor ID nd_nmbr is repeated for each image.
As a consequence, at the end of the calculation, pw.x tries to delete the
restart files several time concurrently, crashing.
This is a temporary fix, as a way to delete the files properly should
be found. All the other file deletions are also wrong, but not harmful;
probably the entire stop_run is innapropriate for multi-image optimization
(i.e. it calls io_path_stop which has just been called directly by pwscf!).
LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5617 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
paulatto 2009-06-18 08:38:21 +00:00
parent 47962d79bd
commit 0aabff94b5
1 changed files with 1 additions and 1 deletions

View File

@ -64,7 +64,7 @@ SUBROUTINE stop_run( flag )
!
END IF
!
IF (flag) THEN
IF (flag .and. .not. lpath) THEN
CALL seqopn( 4, 'restart', 'UNFORMATTED', exst )
CLOSE( UNIT = 4, STATUS = 'DELETE' )
ENDIF