Re: Amber on Linux

From: Viktor Hornak <viktor.hornak.sunysb.edu>
Date: Sat, 12 Apr 2003 19:41:41 -0400

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 - 00:53:01 PDT
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