AMBER Archive (2006)

Subject: Re: AMBER: Parallel version of Amber: error message

From: Mark Williamson (Mark.Williamson_at_imperial.ac.uk)
Date: Mon Feb 06 2006 - 15:00:09 CST

snoze pa wrote:
> >
> > export LD_LIBRARY_PATH='/usr/intel/mkl/8.0.1/lib/32:'
> > then it is giving me following error message

Have you read the instructions that came with the Intel compilers? I
don't think you've set up the environment variables for the compiler
correctly.

Binary programs are a series of machined coded functions that are called
in a specific sequence. Some these functions are so common, useful and
reusable that they are made available to many programs. This saves
people time, effort and errors, since you do not need to re-invent the
wheel when you need to do something in your code that has been done
before. One just needs to call that function from that library and the
machine code from that library file is used.

Before a program calls a function from a library, it actually need to
know where the binary library files exist. Under the BASH shell, this is
done using the LD_LIBRARY_PATH variable. It's saying "look in this set
of directories for a set library files that contain the machine code of
the referred functions".

Ifort has many of its own libraries and these are used in binaries that
are made by this compiler. These libraries generally live in
/opt/intel_fce_80/lib . You need to add these to your LD_LIBRARY_PATH
path environment setting. Have a look at
/opt/intel_fce_80/bin/ifortvars.sh . This is the script that sets the
correct environment variables for the compiler.

Having said all the above; it's much easier to compile statically; this
means that all needed machine code from libraries are appended to the
binary being build. The downside of this is that the binary is bigger,
but you will not have issues with shared libraries.

regards,

Mark
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