amber-developers: Re: amber10 test failures with g95/x86_64

From: David A. Case <>
Date: Wed, 27 Feb 2008 13:59:15 -0800

On Wed, Feb 27, 2008, Kim F. Wong wrote:

> Would someone help me get gfortran & mpich 1.2.7 working on my laptop:

I can't help with the exact command above, but I have finally done what
was threatened long ago: put a version of lam into the Amber10 tree.

So, if you "make clean" and then "./configure -lam <compiler>" you should
get instructions on what to do next (i.e. run configure_netcdf and
configure_lam). This followed by a "make parallel".

In my experience, lam is the most portable of the mpi's, and is certainly good
enough to "just get something working on my laptop".


a. For right now, before the above, go to $AMBERHOME and type "ln -s exe
bin". (I'll make this automatic soon).

b. Of course, even this may not work on Kim's laptop. But, finding out why
and fixing the scripts will then pay dividends for everyone, because we will
have a hardwired, reproducible and testable installation, instead of having
everyone install a completely different MPI, then report problems to the
mailing list. Our installation will guarantee that the same compiler is
used, that all libraries and execuatbles are local to the amber10 tree, etc.

c. Anyone wishing to help can explore configure options for lam. Look at the
"configure_lam" script that gets created, and see if there are other packages
we could leave out -- the idea is to only build the stuff we really need,
hence avoiding unnecessary dependencies. Also, the current script won't build
a static MPI version...I hope someone can figure out why and fix it.

d. Of course, it could be that LAM was/is the wrong choice, but let's give it
a try for a while. One of my points is that lam (alone among things I have
tried) will compile and run on cygwin, which is one (fairly severe) test of

...comments and help welcome here....thanks...dave
Received on Sun Mar 02 2008 - 06:07:14 PST
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