mirror of https://gitlab.com/QEF/q-e.git
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
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@ -64,7 +64,7 @@ SUBROUTINE stop_run( flag )
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!
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END IF
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!
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IF (flag) THEN
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IF (flag .and. .not. lpath) THEN
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CALL seqopn( 4, 'restart', 'UNFORMATTED', exst )
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CLOSE( UNIT = 4, STATUS = 'DELETE' )
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ENDIF
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