Thanks for Viktor's message.
The farg.f that I compiled in src/sander before I compiled sander is:
integer function mpir_iargc()
mpir_iargc = IARGC()
return
end
subroutine mpir_getarg( i, s )
integer i
character*(*) s
external GETARG
call GETARG(i,s)
return
end
Thanks,
Wen
On Sat, 12 Apr 2003, Viktor Hornak wrote:
> Dear Li,
>
> What is the contents of your farg.f file? It needs to be put in your
> sander directory and compiled separately before you compile sander. What
> version of pgf you're using?
>
> -Viktor
>
> Wen Li wrote:
>
> > Hello everyone,
> >
> > I used Dr. Carlos Simmerling's machine file (Machine.pgf77_mpich) to
> > install Amber7 on our Beowulf Linux cluster. In our computer, mpich is
> > in /usr/rels
> >
> > master 622% pwd
> > /usr/rels
> > master 623% ls
> > changeables/ misc/ mpich-1.2.0/ mpich.g77.sys.gz scripts/
> > jacek/ mpich. mpich-1.2.1.tar.gz mpich.g77.usr.gz tools/
> >
> > So I make the change in the machine file:
> > MPICH_HOME /usr/rels/mpich
> >
> > In our computer, I found the file /usr/rels/mpich/lib/farg.o. I also
> > compiled farg.f in amber7/src and amber7/src/sander, but the installation
> > complained:
> >
> > pgf77 -o new2oldparm new2oldparm.o nxtsec.o -lm -L/usr/rels/mpich/lib
> > farg.o -lmpich
> > /usr/bin/ld: cannot open farg.o: No such file or directory
> > make[1]: *** [new2oldparm] Error 1
> >
> > If I changed the file by using the explicit path:
> > setenv MACHINEFLAGS "-DREGNML -DMPI -I/usr/rels/mpich-1.2.4/include"
> > and
> > setenv LOADLIB "-L/usr/rels/mpich-1.2.4/lib -lmpich -lm"
> >
> > The installation complained:
> > ... .o decomp.o ../farg.o ../lapack/lapack.a ../blas/blas.a
> > ../lib/nxtsec.o /usr/local/amber/amber7/src/Machines/standard/sys.a
> > -L/usr/rels/mpich-1.2.0/lib -lmpich -lm
> > /usr/rels/mpich-1.2.0/lib/libmpich.a(farg.o): In function `mpir_iargc__':
> > farg.o(.text+0x8): undefined reference to `f__xargc'
> > make[1]: *** [sander] Error 1
> >
> > Could you please tell me how to solve this problem?
> >
> > Many thanks!
> >
> > PS. I do not think ifc has been installed in our cluster.
> >
> > Wen
> >
> >
>
>
>
Received on Sun Apr 13 2003 - 16:53:00 PDT
