AMBER Archive (2003)

Subject: Amber on Linux

From: Wen Li (liw_at_wadsworth.org)
Date: Sat Apr 12 2003 - 12:00:46 CDT

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