Renamed input 'nodedir' to 'wfcdir'

Fixed cases that do not know about 'wfcdir'
 Kostya


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2324 c92efa57-630b-4861-b058-cf58834340f0

Doc/INPUT_PW

@@ -125,13 +125,14 @@ dt             REAL ( default = 20.D0 )
 
 outdir         CHARACTER ( default = current directory ('./') )
                input, temporary, output files are found in this directory,
-               see also 'nodedir'
+               see also 'wfcdir'
             
-nodedir        CHARACTER ( default = outdir )
-               this directory specifies where to store the files generated by
+wfcdir         CHARACTER ( by default same as outdir )
+               this directory specifies where to store files generated by
                each processor (*.wfc{N}, *.igk{N}, etc.). The idea here is
-               to keep the largest files local to the node, while the files
-               necessary for restarting go into 'outdir'
+               to be able to separately store the largest files, while 
+               the files necessary for restarting still go into 'outdir'
+               (for now only works for stand alone PW )
 
 
 prefix         CHARACTER ( default = 'pwscf' )

Modules/input_parameters.f90

@@ -205,7 +205,7 @@ MODULE input_parameters
           ! filesystem ( not NFS! )
 
 
-        CHARACTER(LEN=256) :: nodedir = 'undefined'
+        CHARACTER(LEN=256) :: wfcdir = 'undefined'
           ! scratch directory that is hopefully local to the node
           ! to store large, usually temporary files. Note that the 'scradir'
           ! above is quite confusing and does not do what is claimed
@@ -273,7 +273,7 @@ MODULE input_parameters
           ! if <0 do nothing, if==0 print rho and fort.47, if == nband print band
 
         NAMELIST / control / title, calculation, verbosity, restart_mode, &
-          nstep, iprint, isave, tstress, tprnfor, dt, ndr, ndw, outdir, prefix, nodedir, &
+          nstep, iprint, isave, tstress, tprnfor, dt, ndr, ndw, outdir, prefix, wfcdir, &
           max_seconds, ekin_conv_thr, etot_conv_thr, forc_conv_thr, &
           pseudo_dir, disk_io, tefield, dipfield, lberry, gdir, nppstr, &
           wf_collect, printwfc, scradir,lelfield, nberrycic, refg

Modules/io_files.f90

@@ -18,7 +18,7 @@ MODULE io_files
   SAVE
   !
   CHARACTER(len=256) :: tmp_dir = './'  ! directory for temporary files
-  CHARACTER(len=256) :: nod_dir = './'  ! directory for large files on each node
+  CHARACTER(len=256) :: wfc_dir = 'undefined'  ! directory for large files on each node, should be kept 'undefined' if not known 
   CHARACTER(len=256) :: prefix  = 'os'  ! prepended to file names
   CHARACTER(len=3)   :: nd_nmbr = '000' ! node number (used only in parallel case)
   CHARACTER(len=256) :: pseudo_dir = './'

Modules/read_namelists.f90

@@ -593,7 +593,7 @@ MODULE read_namelists_module
        CALL mp_bcast( ndr,           ionode_id )
        CALL mp_bcast( ndw,           ionode_id )
        CALL mp_bcast( outdir,        ionode_id )
-       CALL mp_bcast( nodedir,       ionode_id )
+       CALL mp_bcast( wfcdir,       ionode_id )
        CALL mp_bcast( scradir,       ionode_id )
        CALL mp_bcast( prefix,        ionode_id )
        CALL mp_bcast( max_seconds,   ionode_id )

PW/input.f90

@@ -115,7 +115,7 @@ SUBROUTINE iosys()
                             starting_magnetization_ => starting_magnetization, &
                             lsda
   !
-  USE io_files,      ONLY : tmp_dir, nod_dir, &
+  USE io_files,      ONLY : tmp_dir, wfc_dir, &
                             prefix_     => prefix, &
                             pseudo_dir_ => pseudo_dir, &
                             psfile
@@ -183,7 +183,7 @@ SUBROUTINE iosys()
   !
   USE input_parameters, ONLY : title, calculation, verbosity, &
                                restart_mode, nstep, iprint, tstress, tprnfor, &
-                               dt, outdir, nodedir, prefix, max_seconds, &
+                               dt, outdir, wfcdir, prefix, max_seconds, &
                                etot_conv_thr, forc_conv_thr, pseudo_dir, &
                                disk_io, tefield, dipfield, lberry, gdir, &
                                nppstr, wf_collect,lelfield, efield,  &
@@ -1421,14 +1421,10 @@ SUBROUTINE iosys()
   !
   CALL verify_tmpdir(tmp_dir)
   !
-  IF (nodedir=='undefined') THEN
+  IF (.not.(TRIM(wfcdir)=='undefined')) THEN
      !
-     nod_dir=tmp_dir
-     !
-  ELSE
-     !
-     nod_dir=TRIM( nodedir )
-     CALL verify_tmpdir(nod_dir)
+     wfc_dir=TRIM( wfcdir )
+     CALL verify_tmpdir(wfc_dir)
      !
   ENDIF
   !

PW/openfil.f90

@@ -21,7 +21,7 @@ SUBROUTINE openfil()
   USE ldaU,             ONLY : lda_plus_U
   USE io_files,         ONLY : prefix, iunpun, iunat, iunwfc, iunigk, &
                                nwordwfc, nwordatwfc, iunefield, &
-                               tmp_dir, nod_dir
+                               tmp_dir, wfc_dir
   USE pw_restart,       ONLY : pw_readfile
   USE restart_module,   ONLY : readfile_new
   USE noncollin_module, ONLY : npol
@@ -39,10 +39,14 @@ SUBROUTINE openfil()
   ! ... nwordwfc is the record length for the direct-access file
   ! ... containing wavefunctions
   !
-  ! we'll swap nod_dir for tmp_dir for large files
+  ! we'll swap wfc_dir for tmp_dir for large files
   tmp_dir_sav = tmp_dir
   !
-  tmp_dir = nod_dir
+  !  WRITE( stdout, '(5X,"openfil: wfc storage path = ",A)' ) TRIM(wfc_dir)
+  IF (.not.(wfc_dir=='undefined')) THEN
+     WRITE( stdout, '(5X,"writing wfc files to a dedicated directory")' )
+     tmp_dir = wfc_dir
+  ENDIF
   !
   nwordwfc = 2 * nbnd * npwx * npol
   !