AMBER Archive (2009)

Subject: Re: [AMBER] amber9 installation problem in SMP IA64

From: David A. Case (
Date: Wed Feb 11 2009 - 07:07:48 CST

On Wed, Feb 11, 2009, Vijay Manickam Achari wrote:

> Thanks for the help. But when I run accordingly I get some errors too.
> I have posted the error as below:
> Installation of Amber9 (serial) is complete at Wed Feb 11 12:13:08 MYT 2009..

This part looks good.

> /usr/local/amber9/src #
> /usr/local/lam-7.0.6 # make distclean
> /usr/local/lam-7.0.6 # ./configure --prefix=/usr/local/lam CC=icc FC=ifort CXX=icpc
> /usr/local/lam-7.0.6 # make install
> /usr/local/amber9/src # export MPI_HOME=/opt/mpich/ch-p4mpd

I'm rather confused here. Why are you (apparently) configuring lam, and
then setting MPI_HOME to mpich?

> /opt/mpich/ch-p4mpd/lib/libmpich.a(farg.o): In function `mpir_iargc_':
> (.text+0x22): undefined reference to `_gfortran_iargc'

This certainly implies that your mpich setup used gfortran, but your
sander installation is using ifort. You must use the same compiler to
compile MPI as Amber.


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