Molpro error on Apple G5 OS 10.3

Kirk Peterson kipeters at tyr0.chem.wsu.edu
Fri Nov 7 19:44:22 GMT 2003


Bill,

note that you must use both f90 and c from the xlf compiler.  I'm 
guessing there is still something
not quite right in the CONFIG file that configure produces since it is 
jumping back to g77 to compile/link
ftconv.f.   I've attached the CONFIG file from my installation.

-Kirk

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On Friday, November 7, 2003, at 11:25  AM, Bill Gray wrote:

> Kirk,
> Thanks for the reply.? Have tried with -i4 but must be missing  
> something as configure works
> but make fails with
> ?...
> ??? 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
> ?? ....
> Note using latest GCC and IBM Beta compilers
> Attached are logs of?6 attempts with or without the GCC or IBM  
> compilers.?
> ? (see /etc/profile changes for PATH) which in summary are:
> ???? -04 & -06 is with IBM and without GCC and ./configure fails;
> ???? -05 & -08 is with IBM and with GCC and ./configure runs but make  
> fails;
> ???? -07 is without IBM and without GCC and ./configure fails;
> ???? -09 is with IBM and with GCC and ./configure -i4 ./configure runs  
> but make fails.
> Any help are hints appreciated....
> ?
>
> ----- Original Message -----
> From: Kirk Peterson
> To: Bill Gray
> Cc: Molpro-user ; William Gray
> Sent: Friday, November 07, 2003 1:19 PM
> Subject: Re: Molpro error on Apple G5 OS 10.3
>
> Bill,
>
> sorry for not replying to this, I just got back in town. I think the  
> problem here is twofold. In the
> first place, the -i8 installation has not been ported for the Mac. In  
> fact, even though the G5 is
> a 64-bit machine, I'm pretty sure 10.3 is still not 64-bit native. So  
> this may not work well in
> any event. In the 2nd place, I don't believe you want the -efc command  
> on configure. The
> configure script for the Mac is setup to be used without any options.
>
> So in summary, do the build for -i4 and everything should work fine.
>
> regards,
>
> Kirk Peterson
>
>
> On Thursday, November 6, 2003, at 11:59 AM, Bill Gray wrote:
>
> Trying to put Molpro on New machine and need help...
> ?
> Attempting to setup the molpro on an Apple MAC G5, dual 2GHz CPUs, OS  
> 10.3,
> with IBM's xlf 8.1 installed? get error trying to do:
> ?
> ./configure -efc -i8
> ???? ...
> linking ftc
> getopt.c: compiling ... done
> getopt1.c: compiling ... done
> molpro.c: compiling ... done
> linking molpro
> ftconv.f: compiling ... failed:
> g77 -fno-second-underscore -fno-globals -w -c -O2 ftconv.f
> ../bin/ftn: line 1: g77: command not found
> ln: ./ftconv.exe: No such file or directory
> gnumake: *** [ftconv.exe] Error 1
> Setting up integer*8 version; if you want integer*4, use configure -i4
> xlf: 1501-216 command option -8 is not recognized - passed to ld
> ** machine?? === End of Compilation 1 ===
> ** fehler?? === End of Compilation 2 ===
> ** save_all_files?? === End of Compilation 3 ===
> 1501-510? Compilation successful for file machine.f.
> /usr/bin/ld: -i argument:? must have a ':' between its symbol names
> ln: ./machine.exe: No such file or directory
> gnumake: *** [machine.exe] Error 1
> ftconv.f: compiling ... failed:
> g77 -fno-second-underscore -fno-globals -w -c -O2 ftconv.f
> ../bin/ftn: line 1: g77: command not found
> ln: ./ftconv.exe: No such file or directory
> gnumake: *** [ftconv.exe] Error 1
> ...
> ?
> ?
> *** Additional data on system **
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6 wgray$ uname -a
> Darwin galaxyg5.jics.utk.edu 7.0.0 Darwin Kernel Version 7.0.0: Wed  
> Sep 24 15:48:39 PDT 2003; root:xnu/xnu-517.obj~1/RELEASE_PPC? Power  
> Macintosh powerpc
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6 wgray$ cd utilities
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6/utilities wgray$  
> ./config.guess
> powerpc-apple-darwin7.0.0
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6/utilities wgray$ which  
> f77
> /opt/ibmcmp/xlf/8.1/bin/f77
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6/utilities wgray$ which  
> g77
> no g77 in /bin /sbin /usr/bin /usr/sbin /opt/ibmcmp/xlf/8.1/bin  
> /opt/ibmcmp/xlf/8.1/bin
> galaxyg5:~/Documents/MolPro2002.G5/molpro2002.6/utilities wgray$
> ***********************************
>
> ===============================================================
> William W. Gray? (wgray at tennessee.edu)?? Earth & Planetary Sciences  
> Department,
> University of Tennessee????????????????????????????? Joint Institute  
> for Computational Science,
> 206 Geological Sciences??????????????????????????? and Science  
> Alliance.
> Knoxville, TN 37996-1410????????????????????????? UT (865) 974-3907
> Geology (865) 974-6003?????????????????????????????????????????? ORNL  
> (865) 574-1509
> http://web.utk.edu/~bill?????????????????????????????  
> http://www.jics.utk.edu/~gray
> ==============================================================????????? 
> ??????????????????????????????????????????????????????????????????????? 
> ?????????
>
> <MolPro-Configure-Log-09.txt><MolPro-Configure-Log-08.txt><MolPro- 
> Configure-Log-07.txt><MolPro-Configure-Log-06.txt><MolPro-Configure- 
> Log-04.txt><MolPro-Configure-Log-05.txt>
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