AMBER Archive (2007)

Subject: Re: AMBER: antechamber: mopac charges

From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Thu Jul 05 2007 - 14:26:30 CDT

Hi,
In compiling antechamber-1.27 using gcc and f77 compilers, I get these
errors at the end of the compilation (the rest of compilation seems to run
OK):

/usr/bin/ld: Undefined symbols:
___stderrp
_fwrite$UNIX2003
___stdinp
___stdoutp
_freopen$UNIX2003
collect2: ld returned 1 exit status
make[1]: *** [mopac] Error 1
make: *** [install] Error 2

When I run antechamber, it gets stuck at:

Running: $ACHOME/exe/mopac.sh
/Applications/antechamber-1.27/exe/mopac.sh: line 12:
/Applications/antechamber-1.27/exe/mopac: cannot execute binary file
mv: rename FOR006 to mopac.out: No such file or directory
Cannot open mopac.out , exit

During compilation, the mopac executable did get created. The mopac.sh file
contains this:

ln mopac.in FOR005
$ACHOME/exe/mopac
mv FOR006 mopac.out
rm -f FOR0??

Could somebody please point out what needs to be done?

Thanks,
Neelanjana

On 7/4/07, David A. Case <case_at_scripps.edu> wrote:
>
>
> Please edit /software/amber7/exe/mopac.sh, and have it point to the
> correct
> location of the mopac executable. Amber 7 did not ship with mopac (as I
> remember). If you don't have a copy already, you should download the
> antechamber package from http://amber.scripps.edu/antechamber, and use the
> mopac that is included there.
>
> ...good luck...dac
>
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