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Index: aces3-3.0.8/src/aces/aces_library/a2driver/aces2/mkvmol.F
===================================================================
--- aces3-3.0.8.orig/src/aces/aces_library/a2driver/aces2/mkvmol.F
+++ aces3-3.0.8/src/aces/aces_library/a2driver/aces2/mkvmol.F
@@ -93,7 +93,7 @@ C
LOGICAL XYZIN,NWFINDIF
Logical Opn,bad123, GENBAS
CKJW 5-24-00
- logical seward,bCpBasis,bExist,bOpened
+ logical seward,bCpBasis,bExist,gExist,bOpened
Integer OldLu
Dimension Nord(2*MxAtms),Scratch(NAtms)
@@ -200,6 +200,8 @@ C SEE IF A GENBAS FILE IS PRESENT
C
INQUIRE(FILE='GENBAS',EXIST=GENBAS)
IF (.NOT.GENBAS) INQUIRE(FILE='ZMAT.BAS',EXIST=GENBAS)
+ IF (.NOT.GENBAS) INQUIRE(FILE='/usr/share/aces3/GENBAS',
+ &EXIST=GENBAS)
C
C Cautiously open the ZMAT file
C
@@ -648,7 +650,13 @@ c o open a basis set file for rdbas an
rewind(12)
else
if (.not.bOpened) then
- open(unit=12,file='GENBAS',form='formatted',status='old')
+ inquire(file='GENBAS',exist=gExist)
+ if (gExist) then
+ open(unit=12,file='GENBAS',form='formatted',status='old')
+ else
+ open(unit=12,file='/usr/share/aces3/GENBAS',
+ & form='formatted',status='old')
+ endif
else
print *, '@MKVMOL: Assertion failed.'
print *, ' ZMAT.BAS does not exist but unit 12 is ',
Index: aces3-3.0.8/src/main/write_default_sial_programs.F
===================================================================
--- aces3-3.0.8.orig/src/main/write_default_sial_programs.F
+++ aces3-3.0.8/src/main/write_default_sial_programs.F
@@ -448,6 +448,15 @@ c---------------------------------------
fn = envvar(1:lenenv) // '/sio/default_jobflows'
open (unit=iunit, file = fn, status = 'OLD',
* err=600, iostat = ios)
+ else
+
+c--------------------------------------------------------------------------
+c Check for existence of /usr/share/aces3/sio/sial_config
+c--------------------------------------------------------------------------
+
+ fn = '/usr/share/aces3/sio/default_jobflows'
+ open (unit=iunit, file = fn, status = 'OLD',
+ * err=600, iostat = ios)
endif
100 continue
Index: aces3-3.0.8/src/main/get_sial_config_params.F
===================================================================
--- aces3-3.0.8.orig/src/main/get_sial_config_params.F
+++ aces3-3.0.8/src/main/get_sial_config_params.F
@@ -128,5 +128,17 @@ c---------------------------------------
endif
600 continue
+
+c--------------------------------------------------------------------------
+c Check for existence of /usr/share/aces3/sio/sial_config
+c--------------------------------------------------------------------------
+
+ config_file = '/usr/share/aces3/sio/sial_config'
+ open (unit=iunit, file = config_file, status = 'OLD',
+ * err=700, iostat = ios)
+
+ go to 50 ! successfully opened.
+
+ 700 continue
return
end
Index: aces3-3.0.8/src/sia/sip/aces_instructions/open_aat_database.F
===================================================================
--- aces3-3.0.8.orig/src/sia/sip/aces_instructions/open_aat_database.F
+++ aces3-3.0.8/src/sia/sip/aces_instructions/open_aat_database.F
@@ -72,22 +72,30 @@ c---------------------------------------
ierr_return = 0
return
+ endif
+
+c----------------------------------------------------------------------------
+c Next, try to open the copy in the default directory.
+c----------------------------------------------------------------------------
+
+ 300 continue
+ fn = '/usr/share/aces3/' // '/sio/' // aat_database(1:n)
+ open (unit=iunit, file = fn, status = 'OLD',
+ * err=400, iostat = ierr)
c---------------------------------------------------------------------------
-c The open failed. Return an error.
+c Successful open.
c---------------------------------------------------------------------------
- 300 continue
- ierr_return = ierr
- else
+ ierr_return = 0
+ return
c---------------------------------------------------------------------------
-c The first attempt failed, and there is no env. variable coded.
-c Return an error code.
+c The open failed. Return an error.
c---------------------------------------------------------------------------
- ierr_return = ierr
- endif
+ 400 continue
+ ierr_return = ierr
return
end
Index: aces3-3.0.8/src/sia/sip_shared/sial_interface.F
===================================================================
--- aces3-3.0.8.orig/src/sia/sip_shared/sial_interface.F
+++ aces3-3.0.8/src/sia/sip_shared/sial_interface.F
@@ -423,13 +423,17 @@ c---------------------------------------
call c_getenv('ACES_EXE_PATH'//char(0),
* aces_exe_path, lenval,ierr)
if (ierr .ne. 0) then
- print *,'Error attempting to read ACES_EXE_PATH ',
- * 'env. variable, ierr = ',ierr
- call c_exit(1)
- endif
-
- siofile = aces_exe_path(1:lenval) // '/sio/' //
+
+c--------------------------------------------------------------------------
+c Check for the existence of the file in the default directory.
+c--------------------------------------------------------------------------
+
+ siofile = '/usr/share/aces3/sio/' //
* obj_filename(1:n)
+ else
+ siofile = aces_exe_path(1:lenval) // '/sio/' //
+ * obj_filename(1:n)
+ endif
endif
c--------------------------------------------------------------------------
c Open the output file name and read the file header.
|
