diff -crB /root/Gaussian09.source/tar/g09/bsd/fsplit.c g09/bsd/fsplit.c
*** /root/Gaussian09.source/tar/g09/bsd/fsplit.c	2009-06-11 21:05:42.000000000 +0200
--- g09/bsd/fsplit.c	2010-12-21 11:06:47.887516990 +0100
***************
*** 105,117 ****
  		ifp = stdin;
      for(;;) {
  	/* look for a temp file that doesn't correspond to an existing file */
!         int getline(), lend(), lname(), saveit();
  	void get_name(), xunlink(), xrename();
  	get_name(x, 3);
  	ofp = fopen(x, "w");
  	nflag = 0;
  	rv = 0;
! 	while (getline() > 0) {
  		rv = 1;
  		fprintf(ofp, "%s", buf);
  		if (lend())		/* look for an 'end' statement */
--- 105,117 ----
  		ifp = stdin;
      for(;;) {
  	/* look for a temp file that doesn't correspond to an existing file */
!         int mygetline(), lend(), lname(), saveit();
  	void get_name(), xunlink(), xrename();
  	get_name(x, 3);
  	ofp = fopen(x, "w");
  	nflag = 0;
  	rv = 0;
! 	while (mygetline() > 0) {
  		rv = 1;
  		fprintf(ofp, "%s", buf);
  		if (lend())		/* look for an 'end' statement */
***************
*** 205,211 ****
  	return;
  }
  
! int getline()
  {
  	register char *ptr;
  
--- 205,211 ----
  	return;
  }
  
! int mygetline()
  {
  	register char *ptr;
  
diff -crB /root/Gaussian09.source/tar/g09/bsd/i386.make g09/bsd/i386.make
*** /root/Gaussian09.source/tar/g09/bsd/i386.make	2009-06-11 20:34:32.000000000 +0200
--- g09/bsd/i386.make	2010-12-21 11:05:40.387516702 +0100
***************
*** 65,72 ****
  #BLAS = blas-opt.a blas-f2c.a
  #BLASL = -Wl,blas-opt.a -Wl,blas-f2c.a
  BLASL = -Wl,$(BSDDIR)/libf77blas-ia32.a -Wl,$(BSDDIR)/libatlas-ia32.a
! BLAS1 = $(BSDDIR)/libf77blas-ia32.a
! BLAS2 = $(BSDDIR)/libatlas-ia32.a
  BLAS = $(BLAS1) $(BLAS2)
  GAULIBA = util.a 
  GAULIBU = util.so
--- 65,74 ----
  #BLAS = blas-opt.a blas-f2c.a
  #BLASL = -Wl,blas-opt.a -Wl,blas-f2c.a
  BLASL = -Wl,$(BSDDIR)/libf77blas-ia32.a -Wl,$(BSDDIR)/libatlas-ia32.a
! #BLAS1 = $(BSDDIR)/libf77blas-ia32.a
! #BLAS2 = $(BSDDIR)/libatlas-ia32.a
! BLAS1 = /usr/lib/libf77blas.a
! BLAS2 = /usr/lib/libatlas.a
  BLAS = $(BLAS1) $(BLAS2)
  GAULIBA = util.a 
  GAULIBU = util.so
***************
*** 85,91 ****
  INCDIR =
  INCDIRG = -I$(g09root)/g09
  PARMETH = -D_OPENMP_ -D_OPENMP_MM_
! FPARFLAG = -mp=nonuma
  PARFLAG = -DGAUSS_PAR -DGAUSS_THPAR $(PARMETH)
  BLASFLAG = -DCA1_DGEMM -DCA2_DGEMM -DCAB_DGEMM -DLV_DSP
  #DEBUGP = -DCHECK_ARG_OVERLAP
--- 87,94 ----
  INCDIR =
  INCDIRG = -I$(g09root)/g09
  PARMETH = -D_OPENMP_ -D_OPENMP_MM_
! #FPARFLAG = -mp=nonuma
! FPARFLAG = -fopenmp
  PARFLAG = -DGAUSS_PAR -DGAUSS_THPAR $(PARMETH)
  BLASFLAG = -DCA1_DGEMM -DCA2_DGEMM -DCAB_DGEMM -DLV_DSP
  #DEBUGP = -DCHECK_ARG_OVERLAP
***************
*** 115,141 ****
  RUNCPP = gau-cpp
  RUNFSP = gau-fsplit
  RUNMAKE = make
! TIME = -Mreentrant -Mrecursive -Mnosave -Minfo -Mneginfo -time
  #VECTOR4 = ,prefetch,sse -fastsse -Mscalarsse
! VECTOR = -Mvect=assoc,recog,cachesize:$(CSIZE)$(VECTOR4)
  MACHTY = p7
! MACH = -tp $(MACHTY) $(TIME)
! OPTOI = -m32 -march=i486 -malign-double 
  OPTFLAGO = $(OPTOI) -fexpensive-optimizations -O3 -ffast-math -funroll-loops
  # Flags for portland compiler.
  #
! I8FLAG =
  R8FLAG =
  MMODEL = 
! PGISTATIC = -Bstatic_pgi
! RUNF77 = pgf77 $(PGISTATIC) $(I8FLAG) $(R8FLAG) $(MMODEL) $(DEBUGF)
  F2CLIB =
! SYSLIBS = -lpthread -lm -lc
  NUMALIB = 
  LIBS = $(NUMALIB) $(SYSLIBS)
! UNROLL 	= -Munroll
  TWOH = 
! PC64 = -pc 64 -Kieee
  DIMENS = $(DIMENSX) $(TWOH)
  FNOOPT = $(FPARFLAG) $(PROFFLAG) -O0 $(MACH) -g
  FNOOPT64 = $(FNOOPT) $(PC64)
--- 118,153 ----
  RUNCPP = gau-cpp
  RUNFSP = gau-fsplit
  RUNMAKE = make
! #TIME = -Mreentrant -Mrecursive -Mnosave -Minfo -Mneginfo -time
! TIME = -time
  #VECTOR4 = ,prefetch,sse -fastsse -Mscalarsse
! #VECTOR = -Mvect=assoc,recog,cachesize:$(CSIZE)$(VECTOR4)
! VECTOR = 
  MACHTY = p7
! #MACH = -tp $(MACHTY) $(TIME)
! MACH = $(TIME)
! #OPTOI = -m32 -march=i486 -malign-double 
! OPTOI = 
  OPTFLAGO = $(OPTOI) -fexpensive-optimizations -O3 -ffast-math -funroll-loops
  # Flags for portland compiler.
  #
! # I8FLAG = 
! I8FLAG = -fdefault-integer-8
! R8FLAG = -fdefault-double-8 -fdefault-real-8
  MMODEL = 
! #PGISTATIC = -Bstatic_pgi
! #RUNF77 = pgf77 $(PGISTATIC) $(I8FLAG) $(R8FLAG) $(MMODEL) $(DEBUGF)
! RUNF77 = gfortran -static -fdefault-integer-8 -fdefault-double-8 -fdefault-real-8 -fno-range-check -march=native -fexternal-blas
  F2CLIB =
! #SYSLIBS = -lpthread -lm -lc
! SYSLIBS = -Wl,--whole-archive -lpthread -Wl,--no-whole-archive
  NUMALIB = 
  LIBS = $(NUMALIB) $(SYSLIBS)
! #UNROLL 	= -Munroll
! UNROLL 	= -funroll-all-loops
  TWOH = 
! #PC64 = -pc 64 -Kieee
! PC64 = -fdefault-integer-8
  DIMENS = $(DIMENSX) $(TWOH)
  FNOOPT = $(FPARFLAG) $(PROFFLAG) -O0 $(MACH) -g
  FNOOPT64 = $(FNOOPT) $(PC64)
***************
*** 143,149 ****
  FOPT2 = $(FPARFLAG) $(PROFFLAG) -O2 $(MACH)
  FOPT2UN = $(FOPT2) $(UNROLL)
  FOPT2VC = $(FOPT2) $(VECTOR)
! OPTFLAG = -fast -O2 $(UNROLL) $(VECTOR)
  FFLAGS = $(FPARFLAG) $(PROFFLAG) $(MACH) $(OPTFLAG)
  CFLAGS = $(DIMENS) $(OPTFLAGO) $(PROFFLAG)
  LFLAGS = $(FPARFLAG) $(MACH)
--- 155,162 ----
  FOPT2 = $(FPARFLAG) $(PROFFLAG) -O2 $(MACH)
  FOPT2UN = $(FOPT2) $(UNROLL)
  FOPT2VC = $(FOPT2) $(VECTOR)
! #OPTFLAG = -fast -O2 $(UNROLL) $(VECTOR)
! OPTFLAG = $(FOPT2) -O2 $(UNROLL) $(VECTOR)
  FFLAGS = $(FPARFLAG) $(PROFFLAG) $(MACH) $(OPTFLAG)
  CFLAGS = $(DIMENS) $(OPTFLAGO) $(PROFFLAG)
  LFLAGS = $(FPARFLAG) $(MACH)
diff -crB /root/Gaussian09.source/tar/g09/bsd/mdutil.c g09/bsd/mdutil.c
*** /root/Gaussian09.source/tar/g09/bsd/mdutil.c	2009-06-11 20:52:34.000000000 +0200
--- g09/bsd/mdutil.c	2010-12-21 11:05:40.387516702 +0100
***************
*** 333,338 ****
--- 333,339 ----
  #define NEED_AND
  #define NEED_ISHFT
  #define NEED_GSR48
+ #define NEED_PUTENV
  #endif /* sun */
  #include <unistd.h>
  #include <errno.h>
***************
*** 2772,2777 ****
--- 2773,2784 ----
  void flush_() { fflush(stdout); }
  #endif
  
+ #ifdef _I386_
+ int stat_(path, len) char *path; int len; {struct stat buff;
+   char *ppath; ppath = path; return stat(ppath,&buff); }
+ void flush_() { fflush(stdout); }
+ #endif
+ 
  #ifdef _SUN_
  f77_int fork1_() { return(fork1()); }
  #endif
***************
*** 3574,3579 ****
--- 3581,3601 ----
    while (lencpy < leno) {hno[(lencpy++)] = ' ';}
  }
  
+ 
+ // for gfortran compile....
+ f77_int hostnm_ (fname) 
+      f77_char_ptr fname; {
+   f77_char_len maxnam;
+   char *name;
+   int len;
+   void gperror();
+   maxnam=40;
+   name = CH_F2C(fname);
+   len = CH_F2L(fname,maxnam);
+   if(gethostname(name, len) != 0) gperror("hostnm");
+   return(0);
+ }
+ 
  /* Read and parse the line in an exec file */
  #define MAXARG 100
  #define MAXEXECLINE 10240
diff -crB /root/Gaussian09.source/tar/g09/bsd/mdutil.F g09/bsd/mdutil.F
*** /root/Gaussian09.source/tar/g09/bsd/mdutil.F	2009-06-12 02:35:49.000000000 +0200
--- g09/bsd/mdutil.F	2010-12-21 11:05:40.387516702 +0100
***************
*** 190,195 ****
--- 190,196 ----
  #ifdef _HITACHI_
  #define BNPACK_OR
  #endif
+ #define BNPACK_OR
        Parameter (NM32='00000000FFFFFFFF'X)
  #ifdef BNPACK_OR
        C(1) = IOr(LShift(I1,32),IAnd(I2,NM32))
***************
*** 216,221 ****
--- 217,223 ----
  #ifdef _HITACHI_
  #define BNUPAK_OR
  #endif
+ #define BNUPAK_OR
        Parameter (M32='FFFFFFFF00000000'X,B32='0000000080000000'X,
       $  NM32='00000000FFFFFFFF'X)
  #ifdef BNUPAK_OR
***************
*** 1601,1606 ****
--- 1603,1609 ----
  #ifdef _HITACHI_
  #define FBNPCN_OR
  #endif
+ #define FBNPCN_OR
        Parameter (NM32='00000000FFFFFFFF'X)
        Lim = (N+1)/2
        Do 20 IB = 0, (Lim-1), NB
***************
*** 1640,1645 ****
--- 1643,1649 ----
  #ifdef _HITACHI_
  #define FBNUPN_OR
  #endif
+ #define FBNUPN_OR
        Parameter (M32='FFFFFFFF00000000'X,B32='0000000080000000'X,
       $  NM32='00000000FFFFFFFF'X)
        Lim = (N+1)/2
***************
*** 4349,4356 ****
            Call gfname ('inp', fname1)
            Call RMQuot(fname1,fname,lfname)
            Call OpnOut
            Open(In,File=FName(1:lfname),status='old',blank='zero',
!      $      err=999)
            endIf
          endIf
  C
--- 4353,4362 ----
            Call gfname ('inp', fname1)
            Call RMQuot(fname1,fname,lfname)
            Call OpnOut
+           close(unit=in)
            Open(In,File=FName(1:lfname),status='old',blank='zero',
!      $      err=1000)
!  1000     continue
            endIf
          endIf
  C
diff -crB /root/Gaussian09.source/tar/g09/bsd/set-mflags g09/bsd/set-mflags
*** /root/Gaussian09.source/tar/g09/bsd/set-mflags	2009-06-11 20:34:35.000000000 +0200
--- g09/bsd/set-mflags	2010-12-21 11:06:24.157513937 +0100
***************
*** 66,73 ****
      else
        echo "logic failure in set-mflags"
        endif
!     if ($doi8) set mflags = "$mflags I8FLAG=-i8 R8FLAG=-r8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2"
!     set mflags="$mflags MACHTY=$mty GAULIBU=util.a BLAS1=bsd/libf77blas-$blasname.a BLAS2=bsd/libatlas-$blasname.a"
    else if ("$hname" == "sun" || \
             "$hname" == "sun_solaris2" || \
             "$hname" == "amd_solaris2" || \
--- 66,75 ----
      else
        echo "logic failure in set-mflags"
        endif
! #    if ($doi8) set mflags = "$mflags I8FLAG=-i8 R8FLAG=-r8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2"
!     if ($doi8) set mflags = "$mflags I8FLAG=-fdefault-integer-8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2"
! #    set mflags="$mflags MACHTY=$mty GAULIBU=util.a BLAS1=bsd/libf77blas-$blasname.a BLAS2=bsd/libatlas-$blasname.a"
!     set mflags="$mflags MACHTY=$mty GAULIBU=util.a BLAS1=/usr/lib/atlas-base/libf77blas.a BLAS2=/usr/lib/atlas-base/libatlas.a"
    else if ("$hname" == "sun" || \
             "$hname" == "sun_solaris2" || \
             "$hname" == "amd_solaris2" || \