Thanks for your reply to my messages.
On Wed, 2004-09-15 at 11:30, Robert Duke wrote:
> Hmmm. I am not at ptraj expert. However, I note that LOADCC here is
> mapping to ifort, whereas it would normally map to gcc, even if you are
> using ifort. Did you maybe whack config.h, changing this value?. You are
> having trouble with two "main" routines, one from rdparm.c, and one from the
> fortran libraries. You want the one from rdparm.c, which was gcc-compiled,
> presumably, and when linked with gcc, gcc will use the main() in rdparm.c.
> This is all guesswork; I happen to compile the ptraj project (which includes
> rdparm) with g77 currently (no reason other than convenience).
> Regards - Bob Duke
I decided to try the g77 compiler and got quite a bit furnter before it
bombed.
Here is the end of the log file:
cd leap; xmkmf
imake -DUseInstalled -I/usr/X11R6/lib/X11/config
cd leap; make World
make[1]: Entering directory `/home/computation/amber7/src/leap'
Building LEaP for the X Window System Release 604
Wed Sep 15 12:18:29 EDT 2004
make Makefile
make[2]: Entering directory `/home/computation/amber7/src/leap'
+ rm -f Makefile.bak
+ mv -f Makefile Makefile.bak
imake -DUseInstalled -I/usr/X11R6/lib/X11/config -DDoNormalLib=1
-DDoProfileLib=0 -DDoDebugLib=0 -DDoSharedLib=0 -DLEAP_CONFIG=0x0000
-Wundef -DTOPDIR=. -DCURDIR=.
make[2]: Leaving directory `/home/computation/amber7/src/leap'
make Makefiles
make[2]: Entering directory `/home/computation/amber7/src/leap'
making Makefiles in src/Wc...
make[3]: Entering directory `/home/computation/amber7/src/leap'
In file included from Imakefile:26,
from /usr/X11R6/lib/X11/config/Imake.tmpl:2030,
from Imakefile.c:35:
.../Leap_lib.tmpl:10: warning: "NormalLibX" redefined
.../Leap_lib.tmpl:6: warning: this is the location of the previous
definition
In file included from /usr/X11R6/lib/X11/config/Imake.tmpl:2030,
from Imakefile.c:35:
Imakefile:28: invalid preprocessing directive ###
Imakefile:29: invalid preprocessing directive ##
Imakefile:47: invalid preprocessing directive #CREATE_DEFS
Imakefile:63: invalid preprocessing directive ###
Imakefile:64: invalid preprocessing directive ##
Imakefile:168: invalid preprocessing directive ###
Imakefile:196: invalid preprocessing directive ###
imake: Exit code 1.
Stop.
make[3]: *** [src/Wc/Makefile] Error 1
make[3]: Leaving directory `/home/computation/amber7/src/leap'
make[2]: [Makefiles] Error 2 (ignored)
make[2]: Leaving directory `/home/computation/amber7/src/leap'
make cleandir
make[2]: Entering directory `/home/computation/amber7/src/leap'
rm -f -rf ./src/X11
rm -f *.CKP *.ln *.BAK *.bak *.o core errs ,* *~ *.a .emacs_* tags TAGS
make.log MakeOut "#"*
make[2]: Leaving directory `/home/computation/amber7/src/leap'
make includes
make[2]: Entering directory `/home/computation/amber7/src/leap'
mkdir ./src/X11
including in ./src/Wc...
make[3]: Entering directory `/home/computation/amber7/src/leap/src/Wc'
Makefile:8: *** missing separator. Stop.
make[3]: Leaving directory `/home/computation/amber7/src/leap/src/Wc'
make[2]: *** [includes] Error 2
make[2]: Leaving directory `/home/computation/amber7/src/leap'
make[1]: *** [World] Error 2
make[1]: Leaving directory `/home/computation/amber7/src/leap'
make: *** [install] Error 2
Suggestions?
Thanks in advance.
>
> ----- Original Message -----
> From: "Stephen P. Molnar, Ph.D." <s.molnar.sbcglobal.net>
> To: "Amber" <amber.scripps.edu>
> Sent: Wednesday, September 15, 2004 11:38 AM
> Subject: Re: AMBER: Intel Fortran Compiler Problem
>
>
> > Thanks for the reply. That took care of the first error.
> >
> > I got quite a bit further before:
> >
> > ar cru libpdb.a pdbrun.o pdb_read.o pdb_sprntf.o pdb_sscanf.o
> > pdb_write.o ms.o
> > : libpdb.a
> > make[2]: Leaving directory `/home/computation/amber7/src/ptraj/pdb'
> > ../Compile LOADCC -o rdparm main.o rdparm.o dispatch.o help.o utility.o
> > io.o trajectory.o torsion.o rms.o display.o interface.o energy.o
> > experimental.o ptraj.o actions.o analyze.o pdb/libpdb.a -lm
> > /opt/intel_fc_80/bin/ifort -o rdparm main.o rdparm.o dispatch.o help.o
> > utility.o io.o trajectory.o torsion.o rms.o display.o interface.o
> > energy.o experimental.o ptraj.o actions.o analyze.o pdb/libpdb.a -lm
> > main.o(.text+0x68): In function `main':
> > : multiple definition of `main'
> > /opt/intel_fc_80/lib/for_main.o(.text+0x0): first defined here
> > ld: Warning: size of symbol `main' changed from 42 in
> > /opt/intel_fc_80/lib/for_main.o to 271 in main.o
> > /opt/intel_fc_80/lib/for_main.o(.text+0x1c): In function `main':
> > : undefined reference to `MAIN__'
> > make[1]: *** [rdparm] Error 1
> > make[1]: Leaving directory `/home/computation/amber7/src/ptraj'
> > make: *** [install] Error 2
> >
> >
> > On Wed, 2004-09-15 at 10:52, Robert Duke wrote:
> > > Maybe leave LOADLIB defined as nothing in the MACHINE file?
> > > ----- Original Message -----
> > > From: "Stephen P. Molnar, Ph.D." <s.molnar.sbcglobal.net>
> > > To: "Amber" <amber.scripps.edu>
> > > Sent: Wednesday, September 15, 2004 11:13 AM
> > > Subject: Re: AMBER: Intel Fortran Compiler Problem
> > >
> > >
> > > > Thanks for your reply.
> > > >
> > > > On Wed, 2004-09-15 at 10:33, Viktor Hornak wrote:
> > > > > Stephen P. Molnar, Ph.D. wrote:
> > > > > > I am attempting to compile Amber v7 for my SuSE9.0 linux partition
> > > using
> > > > > > the Inter Fortran Compiler v8.
> > > > > >
> > > > > > Unfortunately, I got the following error early on:
> > > > > >
> > > > > > /opt/intel_fc_80/bin/ifort -o new2oldparm new2oldparm.o nxtsec.o
> > > > > > -lPEPCF90
> > > > > > ld: cannot find -lPEPCF90
> > > > > >
> > > > > > Now, according, to the locate command PEPCF90 is part of the v7
> Intel
> > > > > > compiler, and is not to be found in v8.
> > > > > >
> > > > > > What is the solution to this problem.
> > > > >
> > > > > removing the -lPEPCF90 from the MACHINE file should do it...
> > > > >
> > > > Good suggestion! Unfortunately, it generated a new error:
> > > > mkdir ../exe
> > > > cd lib; make install
> > > > make[1]: Entering directory `/home/computation/amber7/src/lib'
> > > > ../Compile L0 -P -DNEWPARM nxtsec.f
> > > > cat nxtsec.f | /lib/cpp -traditional -P -DNEWPARM -DLinux
> > > > -DMEM_ALLOC > _nxtsec_.f
> > > > /opt/intel_fc_80/bin/ifort -c -w -O2 _nxtsec_.f
> > > > ../Compile LOAD -o new2oldparm new2oldparm.o nxtsec.o
> > > > LOADLIB: Undefined variable.
> > > > make[1]: *** [new2oldparm] Error 1
> > > > make[1]: Leaving directory `/home/computation/amber7/src/lib'
> > > > make: *** [install] Error 2
> > > >
> > > >
> > > > > Cheers,
> > > > > -Viktor
> > > > --
> > > > Stephen P. Molnar, Ph.D. Life is a fuzzy set
> > > > Foundation for Chemistry Stochastic and multibariant
> > > > http://www.geocities.com/FoundationForChemistry
> > > >
> > >
> > -----------------------------------------------------------------------
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> > > > To post, send mail to amber.scripps.edu
> > > > To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
> > > >
> > >
> > >
> > > -----------------------------------------------------------------------
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> >
> > -----------------------------------------------------------------------
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> >
>
>
> -----------------------------------------------------------------------
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> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
--
Stephen P. Molnar, Ph.D. Life is a fuzzy set
Foundation for Chemistry Stochastic and multibariant
http://www.geocities.com/FoundationForChemistry
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Received on Wed Sep 15 2004 - 17:53:00 PDT
