Script started on Fri Nov 7 14:04:56 2003 galaxyg5:~/Documents/molpro2002.6 wgray$ echo $PATH /usr/local/bin:/bin:/sbin:/usr/bin:/usr/sbin:/opt/ibmcmp/xlf/8.1/bin galaxyg5:~/Documents/molpro2002.6 wgray$ env v SHELL=/bin/bash TERM=vt100 SSH_CLIENT=160.36.141.59 2879 22 SSH_TTY=/dev/ttyp0 USER=wgray PATH=/usr/local/bin:/bin:/sbin:/usr/bin:/usr/sbin:/opt/ibmcmp/xlf/8.1/bin MAIL=/var/mail/wgray PWD=/Users/wgray/Documents/molpro2002.6 HOME=/Users/wgray SHLVL=2 LOGNAME=wgray SSH_CONNECTION=160.36.141.59 2879 160.36.8.83 22 _=/usr/bin/env galaxyg5:~/Documents/molpro2002.6 wgray$ ls -l total 528 -rw-r--r-- 1 wgray wgray 2383 7 Nov 13:59 CONFIG -rw-r--r-- 1 wgray wgray 2339 7 Nov 13:53 CONFIG.old lrwxr-xr-x 1 wgray wgray 6 7 Nov 13:59 CONFIG_FRONT -> CONFIG -rw-r--r-- 1 wgray wgray 11029 2 Oct 2002 GNUmakefile -rw-r--r-- 1 wgray wgray 5107 7 Nov 11:16 MolPro-Configure-Log-01.txt -rw-r--r-- 1 wgray wgray 7997 7 Nov 11:21 MolPro-Configure-Log-02.txt -rw-r--r-- 1 wgray wgray 21391 7 Nov 13:38 MolPro-Configure-Log-03.txt -rw-r--r-- 1 wgray wgray 4849 7 Nov 13:43 MolPro-Configure-Log-04.txt -rw-r--r-- 1 wgray wgray 20063 7 Nov 13:51 MolPro-Configure-Log-05.txt -rw-r--r-- 1 wgray wgray 1582 7 Nov 13:53 MolPro-Configure-Log-06.txt -rw-r--r-- 1 wgray wgray 4133 7 Nov 13:56 MolPro-Configure-Log-07.txt -rw-r--r-- 1 wgray wgray 24455 7 Nov 14:00 MolPro-Configure-Log-08.txt -rw-r--r-- 1 wgray wgray 0 7 Nov 14:04 MolPro-Configure-Log-09.txt -rw-r--r-- 1 wgray wgray 6322 7 Nov 10:59 MolPro-Configure-Log.txt -rw-r--r-- 1 wgray wgray 4 4 Nov 00:38 PATCHLEVELS -rw-r----- 1 wgray wgray 7 21 Feb 2003 VERSION drwxr-xr-x 25 wgray wgray 850 4 Nov 00:38 bench drwxr-xr-x 30 wgray wgray 1020 7 Nov 14:00 bin drwxr-xr-x 2 wgray wgray 68 9 Jan 2002 blaslibs -rwxr-x--- 1 wgray wgray 36774 31 Jul 07:20 configure -rw-r--r-- 1 wgray wgray 13980 7 Nov 13:59 configure.log drwxr-xr-x 115 wgray wgray 3910 4 Nov 00:38 lib drwxr-xr-x 3 wgray wgray 102 4 Nov 00:38 misc -rw-r--r-- 1 wgray wgray 44 7 Feb 2003 mpptune.com drwxr-xr-x 31 wgray wgray 1054 7 Nov 13:59 parse drwxr-xr-x 26 wgray wgray 884 4 Nov 00:38 patch -rwxr-xr-x 3 wgray wgray 55096 7 Nov 11:15 patcher -rw-r--r-- 1 wgray wgray 43 7 Nov 11:19 patcher.log drwxr-xr-x 44 wgray wgray 1496 4 Nov 00:38 src drwxr-xr-x 349 wgray wgray 11866 4 Nov 00:38 testjobs -rw-r--r-- 1 wgray wgray 3290 3 Oct 2002 tuning.com drwxr-xr-x 67 wgray wgray 2278 7 Nov 14:00 utilities galaxyg5:~/Documents/molpro2002.6 wgray$ ./cin  onfigure -i4 Machine architecture is unix unix-i4 unix-darwin Using the original Absoft configuration. Please enter your licence key (default ): Enter max number of atoms [ 200]: Enter max number of valence orbitals [ 300]: Enter max number of basis functions [2000]: If you wish to use a system BLAS library, please give the maximum level (0, 1, 2, 3) of BLAS to be supplied by the system (default 0): Installed binaries directory [/usr/local/bin] Installed auxiliary directory [/usr/local/lib/molpro-Darwin-i4-2002.6] old CONFIG saved as CONFIG.old parse-powerpc-apple-darwin5.2-i4.o.gz is your object. CONFIG file created; please inspect and edit if necessary before proceeding galaxyg5:~/Documents/molpro2002.6 wgray$ cat -n CONFIG 1 # MOLPRO CONFIG generated at Fri Nov 7 14:05:22 EST 2003 with version 2002.6 2 # for host galaxyg5.jics.utk.edu, architecture unix unix-i4 unix-darwin 3 # 4 # insert additional hosts before galaxyg5.jics.utk.edu in above line, if desired 5 # 6 ARCHITECTURE="unix unix-i4 unix-darwin" 7 8 9 10 # Compilers .. 11 CC="cc" 12 FC="g77 -fno-second-underscore -fno-globals -w" 13 F90="g77 -fno-second-underscore -fno-globals -w" 14 # compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP 15 LINKFC="g77 -fno-second-underscore -fno-globals -w" 16 YACC="bison -b y" 17 ARFLAGS="-r" 18 # C defines 19 # nb SEEK is disk seek speed in seconds 20 # SPEED is disk transfer rate in 8 bytes/second 21 # compiler optimisation 22 COPT="-O2" 23 FOPT="-O2" 24 # compiler explicit no optimisation 25 CDEF="-DSEEK=.001 -DSPEED=200000 -DZLIB -DHAVE_INTTYPES_H " 26 CNOPT=" " 27 COPT1="-O1" 28 COPT2="-O2" 29 FNOPT="-O0" 30 FOPT1="-O1" 31 FOPT2="-O2" 32 FOPT3="-O3" 33 # compiler debug flag 34 CDEBUG="-g" 35 FDEBUG="-g" 36 # static variables 37 FSTATIC=" " 38 # 64-bit integers 39 FI64=" " 40 # profiling 41 FPROFILE="-p" 42 CPROFILE="-p" 43 # additional pre-processor flags 44 FTCFLAGS="blas0" 45 # additional directories to be compiled in mpp case 46 MPPDIR="" 47 # additional libraries and link options 48 LIBS=" -lz" 49 LINKOPT=" " 50 # non-standard location of system libraries 51 LIBDIR="" 52 # GKS X-windows library 53 GKSLIB="-lgks0" 54 # BLAS library 55 BLASLIB="" 56 # LAPACK library 57 LAPACKLIB="" 58 # MPP? 59 MPP="0" 60 MPPX="0" 61 WRAPPER="" 62 USE_MPI="" 63 USE_LAPI="" 64 USE_MYRINET="" 65 MPI_LIB="" 66 MPPNAME="" 67 ARCHNAME="" 68 MPITYPE="" 69 MPIBASEDIR="" 70 MYRINET_LIB="" 71 MYRINET_LINKPARS="" 72 MPIGM_FORMAT="0" 73 USE_GIO="0" 74 # files in src/ to be compiled without optimization 75 F77VERSION="" 76 NO_OPT="opt/optgeo.f argos/arpseu.f argos/artwo1.f argos/artwo2.f argos/artwo3.f argos/binput.f forces/kraft1b.f sort/aosortv.f scf/scfpr1.f util/aoint.f" 77 F_OPT1="util/util.f blas/blas1.f lsint/lsint.f" 78 F_OPT2="util/geom.f" 79 F_OPT3=" " 80 C_OPT1=" " 81 C_OPT2=" " 82 # ranlib command (if not needed, true) 83 RANLIB="ranlib" 84 # ls command to get user and group 85 LSFULL="ls -l" 86 # cp -p if it exists, else cp 87 CP="cp -p" 88 # tar command 89 TAR="tar" 90 # awk command 91 AWK="awk" 92 # strip command 93 STRIP="strip" 94 # installation directories 95 INSTBIN="/usr/local/bin" 96 INSTLIB="/usr/local/lib/molpro-Darwin-i4-2002.6" 97 INSTHTML="" 98 INSTCGI="" 99 # makedepend configuration 100 MAKEDEPEND_OPTIONS="" 101 MODULE_SUFFIX="mod" 102 # non-default libraries 103 PARSE=parse-powerpc-apple-darwin5.2-i4.o.gz galaxyg5:~/Documents/molpro2002.6 wgray$ date Fri Nov 7 14:05:48 EST 2003 galaxyg5:~/Documents/molpro2002.6 wgray$ make; date make -C utilities echo make[1]: `echo' is up to date. make -C utilities ftc make[1]: `ftc' is up to date. make -C utilities molpro molpro.c: compiling ... done linking molpro make -C utilities ftconv.exe ftconv.f: compiling ... failed: g77 -fno-second-underscore -fno-globals -w -c -O2 ftconv.f ftconv.f:5: MODULE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f: In program `MAIN__': ftconv.f:6: INTEGER, PARAMETER :: max_line_length=1024 ^ Fortran 90 feature at (^) unsupported ftconv.f:7: END MODULE dimensions ^ Invalid form for END statement at (^) ftconv.f:7: END MODULE dimensions 1 ftconv.f:8: (continued): program ftconv 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:9: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f:10: parameter (mxtype=50) ^ Invalid declaration of or reference to symbol `mxtype' at (^) [initially seen at (^)] ftconv.f:7: END MODULE dimensions 1 ftconv.f:10: (continued): parameter (mxtype=50) 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:7: END MODULE dimensions 1 ftconv.f:11: (continued): character*30 mx(mxtype) 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:7: END MODULE dimensions 1 ftconv.f:12: (continued): integer lx(mxtype) 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:7: END MODULE dimensions 1 ftconv.f:13: (continued): common/ccheckfunc/ ipend 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:7: END MODULE dimensions 1 ftconv.f:14: (continued): character*30 inclh,inclt,comfil 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:7: END MODULE dimensions 1 ftconv.f:15: (continued): logical resolv,lowerc,stripb,verbose 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:6: INTEGER, PARAMETER :: max_line_length=1024 1 ftconv.f:16: (continued): character(len=max_line_length) :: l 2 Invalid declaration of or reference to symbol `max_line_length' at (2) [initially seen at (1)] ftconv.f:7: END MODULE dimensions 1 ftconv.f:16: (continued): character(len=max_line_length) :: l 2 Statement at (2) invalid in context established by statement at (1) ftconv.f:18: verbose = .false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:19: if (verbose)write(6,*) '*** fortran conversion program ***' ^ Expression at (^) has incorrect data type or rank for its context ftconv.f:20: stripb=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:21: mx(1)=' ' ^ Invalid declaration of or reference to symbol `mx' at (^) [initially seen at (^)] ftconv.f:132: lx(i) = lenstr(mx(i)) ^ Invalid declaration of or reference to symbol `lx' at (^) [initially seen at (^)] ftconv.f:134: if (mx(i)(k+1:k+1).eq.'-') then 1 2 Invalid use at (2) of substring operator on (1) ftconv.f:140: mx(nx) = mx(i)(1:k) 1 2 Invalid use at (2) of substring operator on (1) ftconv.f:144: if (verbose)write (6,26) (mx(k)(1:lx(k)),k=1,nx) ^ Expression at (^) has incorrect data type or rank for its context ftconv.f:144: if (verbose)write (6,26) (mx(k)(1:lx(k)),k=1,nx) 1 2 Invalid use at (2) of substring operator on (1) ftconv.f:171: 44 if (verbose)write (6,26) (mx(k)(1:lx(k)),k=1,nx) ^ Expression at (^) has incorrect data type or rank for its context ftconv.f:171: 44 if (verbose)write (6,26) (mx(k)(1:lx(k)),k=1,nx) 1 2 Invalid use at (2) of substring operator on (1) ftconv.f:176: if(index(l,'unix-mac').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:178: inclh=' include '':common:' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:179: inclt='''' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:180: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:181: lowerc=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:182: comfil='common.mac' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:184: else if(index(l,'unknown').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:186: inclh=' include "common/' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:187: inclt='"' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:188: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:189: lowerc=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:190: comfil='common.all' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:192: else if(index(l,'unix').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:194: inclh=' include "common/' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:195: inclt='"' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:196: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:197: lowerc=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:198: comfil='common.unix' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:200: else if(index(l,'cray').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:202: inclh=' include "common/' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:203: inclt='"' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:204: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:205: comfil='common.cray' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:206: lowerc=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:208: else if(index(l,'vax').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:210: inclh=' include ''(' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:211: inclt=')''' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:212: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:213: comfil='common.vax' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:214: lowerc=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:216: else if(index(l,'ibm').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:218: inclh=' include ''(' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:219: inclt=')''' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:220: resolv=.true. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:221: comfil='common.ibm' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:222: lowerc=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:224: else if(index(l,'disco').ne.0) then ^ Reference to intrinsic `INDEX' at (^) invalid -- one or more arguments have incorrect type ftconv.f:226: inclh='*CALL ' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:227: inclt=' ' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:228: resolv=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:229: comfil='disco.cdk' 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:230: lowerc=.false. 1 2 Type disagreement between expressions at (1) and (2) ftconv.f:173: l=mx(1) 1 ftconv.f:234: (continued): write(6,*) 'unknown machine type: ',l(1:30) 2 Invalid declaration of or reference to symbol `l' at (2) [initially seen at (1)] ftconv.f:178: inclh=' include '':common:' 1 ftconv.f:241: (continued): call ftcnv(mx,lx,nx,inclh(1:i1),inclt(1:i2), 2 Invalid declaration of or reference to symbol `inclh' at (2) [initially seen at (1)] ftconv.f:179: inclt='''' 1 ftconv.f:241: (continued): call ftcnv(mx,lx,nx,inclh(1:i1),inclt(1:i2), 2 Invalid declaration of or reference to symbol `inclt' at (2) [initially seen at (1)] ftconv.f:182: comfil='common.mac' 1 ftconv.f:242: (continued): 1 comfil(1:i3),resolv,lowerc,stripb,verbose) 2 Invalid declaration of or reference to symbol `comfil' at (2) [initially seen at (1)] ftconv.f: In subroutine `ftcnv': ftconv.f:247: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f:251: character(len=max_line_length) :: l,str,lll ^ Invalid declaration of or reference to symbol `max_line_length' at (^) [initially seen at (^)] ftconv.f:251: character(len=max_line_length) :: l,str,lll 1 ftconv.f:277: (continued): 2 read(inp,20,end=101) l 2 Invalid declaration of or reference to symbol `l' at (2) [initially seen at (1)] ftconv.f:251: character(len=max_line_length) :: l,str,lll 1 ftconv.f:381: (continued): str=l(1:72) 2 Invalid declaration of or reference to symbol `str' at (2) [initially seen at (1)] ftconv.f: In subroutine `includx': ftconv.f:419: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f:421: character(len=max_line_length) :: temp ^ Invalid declaration of or reference to symbol `max_line_length' at (^) [initially seen at (^)] ftconv.f:421: character(len=max_line_length) :: temp 1 ftconv.f:450: (continued): temp = l(ipos:jpos-1) 2 Invalid declaration of or reference to symbol `temp' at (2) [initially seen at (1)] ftconv.f: In subroutine `comdek': ftconv.f:472: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f:481: character(len=max_line_length) :: buff(maxl),temp ^ Invalid declaration of or reference to symbol `max_line_length' at (^) [initially seen at (^)] ftconv.f:481: character(len=max_line_length) :: buff(maxl),temp 1 ftconv.f:486: (continued): save buff,istart,iend,nd,nl,name 2 Invalid declaration of or reference to symbol `buff' at (2) [initially seen at (1)] ftconv.f:481: character(len=max_line_length) :: buff(maxl),temp 1 ftconv.f:497: (continued): 2 temp = l(ipos:) 2 Invalid declaration of or reference to symbol `temp' at (2) [initially seen at (1)] ftconv.f:516: if(buff(nl)(1:8).eq.'*comdeck'.or. 1 2 Invalid use at (2) of substring operator on (1) ftconv.f:517: > buff(nl)(1:8).eq.'*COMDECK') goto 11 1 2 Invalid use at (2) of substring operator on (1) ftconv.f: In function `lenstr': ftconv.f:542: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ftconv.f: In subroutine `linein': ftconv.f:552: USE dimensions 1 2 Unrecognized statement name at (1) and invalid form for assignment or statement-function definition at (2) ln: ./ftconv.exe: No such file or directory make[1]: *** [ftconv.exe] Error 1 make: *** [utilities/ftconv.exe] Error 2 Fri Nov 7 14:05:56 EST 2003 galaxyg5:~/Documents/molpro2002.6 wgray$ exit exit Script done on Fri Nov 7 14:09:53 2003