AMBER Archive (2004)

Subject: RE: AMBER: Problem with installing Amber8: Where are the MK libraries?

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Oct 14 2004 - 12:00:02 CDT

Hi Hayden,

> export AMBERHOME=/root/Hayden/AMBER8/amber8
> export LD_LIBRARY_PATH=/opt/intel_fc_80/lib
> export PATH=$AMBERHOME/exe:$PATH
> export LD_LIBRARY_PATH=$LD_LIBARY_PATH:/opt/intel_fc_80/lib/

Why the two entries for LD_LIBRARY_PATH here? You are better off deleting
the LD_LIBRARY_PATH variables and setting the following:

export AMBERHOME=/root/Hayden/AMBER8/amber8
export PATH=$AMBERHOME/exe:$PATH
source /opt/intel_fc_80/bin/ifortvars.sh

This will use intel's own script to set up your compiler environment (much
better).

Remember to close your shell and open a new one if you change your .bashrc
file.

> MKL_HOME is set to /opt/intel_fc_80:/opt/intel_fc_80
> MKL libraries were not found !

> export MKL_HOME=/opt/intel_fc_80
> export MKL_HOME=$MKL_HOME:/opt/intel_fc_80

> Is it that my MKL library doesn;t exist?
> Or
> That the system is looking for the library in the wrong place?

It could be either. But more likely you don't have the mkl libraries
installed. These do not come with the intel compiler they have to be
downloaded seperately. A pain I know but this is how intel licences them.

For example my mkl libraries are in:

/opt/intel/mkl61

If you don't want to bother with the MKL libraries (they only make a very
small speed improvement) then just remove the MKL_HOME statements from your
.bashrc file. Close the shell, reopen it and then run the ./configure script
again.

All the best
Ross

/\
\/
|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk/ | PGP Key available on request |
 

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