Apply fixes for the CPC submission (#1)

* Deletes src/appl/rmcdhf90_mpi/getscd_I.f90  (not needed)
* Makes RNt in the numerical grid Z-dependent in rmcdhf90_mpi
* Some clean-up and corrections to maneig.f90 and maneigmpi.f90 that deal with issues using the Intel libraries for Lapack.
* Changing the permission to of lscomp.pl to executable

src/appl/rci90/maneig.f90

@@ -73,6 +73,11 @@ SUBROUTINE MANEIG(IATJPO, IASPAR)
       USE ispar_I 
       IMPLICIT NONE
 !-----------------------------------------------
+!  E x t e r n a l   F u n c t i o n s
+!-----------------------------------------------
+      REAL(DOUBLE) :: DLAMCH
+      EXTERNAL     :: DLAMCH
+!-----------------------------------------------
 !   D u m m y   A r g u m e n t s
 !-----------------------------------------------
       INTEGER, INTENT(OUT) :: IATJPO 
@@ -82,7 +87,7 @@ SUBROUTINE MANEIG(IATJPO, IASPAR)
 !-----------------------------------------------
 !cjb  INTEGER, PARAMETER      :: IOLPCK = 1000 
       INTEGER, PARAMETER      :: IOLPCK = 2000 
-      REAL(DOUBLE), PARAMETER :: ABSTOL = 1.0D-10 
+! GG      REAL(DOUBLE), PARAMETER :: ABSTOL = 1.0D-10 
 !cjb  NINCOR
 !cjb  INTEGER, PARAMETER      :: NINCOR = 1         ! To enforce DISK
       INTEGER, PARAMETER      :: NINCOR = 268435456 ! = 2 GB or  memory
@@ -95,12 +100,14 @@ SUBROUTINE MANEIG(IATJPO, IASPAR)
          IMV, NDENSE_L, LIM, LWORK, LIWORK, MAXITR, MBLOCK, NEND, &
          ILOW, IHIGH, NIV, NLOOPS, NMV, IERR, J, IA 
       REAL(DOUBLE) :: ELSTO,  DUMMY, &
-          DIATMP, CRITE, CRITC, CRITR, ORTHO, DMUNGO, AMAX, WA 
+          DIATMP, CRITE, CRITC, CRITR, ORTHO, DMUNGO, AMAX, WA, ABSTOL
+! GG          DIATMP, CRITE, CRITC, CRITR, ORTHO, DMUNGO, AMAX, WA 
       LOGICAL :: HIEND, LDISC, SPARSE 
       CHARACTER(LEN=8) :: CNUM 
       REAL(DOUBLE), DIMENSION(:), pointer :: w, z, work, diag
       INTEGER, DIMENSION(:), pointer :: iwork, ifail, jwork
 !-----------------------------------------------------------------------
+      ABSTOL = 2*DLAMCH('S')
       MYID = 0 
       NPROCS = 1 
       !IF (MYID == 0) WRITE (6, *) 'Calling maneig...' 
@@ -208,7 +215,8 @@ SUBROUTINE MANEIG(IATJPO, IASPAR)
             CALL ALLOC (Z, NCF*NVEX,'Z', 'MANEIG' ) 
             CALL ALLOC (WORK, NCF*8,'WORK', 'MANEIG' ) 
             CALL ALLOC (IWORK, NCF*5,'IWORK', 'MANEIG' ) 
-            CALL ALLOC (IFAIL, NVEX, 'IFAIL', 'MANEIG') 
+! GG            CALL ALLOC (IFAIL, NVEX, 'IFAIL', 'MANEIG') 
+            CALL ALLOC (IFAIL, NCF, 'IFAIL', 'MANEIG') 
             CALL DSPEVX ('V', 'I', 'U', NCF, EMT, DUMMY, DUMMY, NVECMN, NVECMX&
                , ABSTOL, M, W, Z, NCF, WORK, IWORK, IFAIL, INFO) 
             IF (INFO /= 0) STOP 'maneig: Failure in DSPEVX [LAPACK]' 

src/appl/rci90_mpi/Makefile

@@ -35,7 +35,7 @@ APP_OBJ= \
 	cxk_I.o            indtpi_I.o   setdbg_I.o     vac4_I.o \
 	klamaq_I.o   setmixmpi_I.o     vacpol_I.o \
 	dnicmv_I.o         lodres_I.o   setres_I.o     vinti_I.o \
-	maneig_I.o   setsum_I.o     zkf_I.o \
+	maneigmpi_I.o   setsum_I.o     zkf_I.o \
 	engout_I.o         mohr_I.o     setham_gg_I.o\
 	vpintf_I.o	   iniestdm_I.o iniestsd_I.o	wghtd5_I.o \
         matrix_I.o genintbreit1_I.o triangbreit1_I.o genintbreit2_I.o \
@@ -47,7 +47,7 @@ APP_OBJ= \
         setsum.o skint.o snrc.o talk.o triangrk.o vac2.o vac4.o vacpol.o \
         genintrkwrap.o vint.o vinti.o vpint.o vpintf.o wghtd5.o zkf.o \
         dnicmv.o genmat2.o getcid.o iniestdm.o iniestsd.o lodmixmpi.o lodres.o \
-        maneig.o  rci90mpi.o  setham_gg.o setmixmpi.o setres.o \
+        maneigmpi.o  rci90mpi.o  setham_gg.o setmixmpi.o setres.o \
         spodmv.o strsum.o qed_slfen.o matrix.o genintbreit1.o triangbreit1.o \
         genintbreit2.o triangbreit2.o genintbreit1wrap.o genintbreit2wrap.o