RE: AMBER: amber 8 problem

From: Ross Walker <>
Date: Mon, 20 Feb 2006 09:05:57 -0800

> /usr/local/amber8/exe/sander: error while loading
> shared libraries: cannot open shared
> object file: No such file or directory
> i knew there is something to do with the ifort
> compiler but i don't know how to solve it.

You need to add the following to the users .cshrc or .bashrc file:

source /opt/intel_cc_80/bin/iccvars.csh
source /opt/intel_fc_80/bin/ifortvars.csh  (or similar path)
source /opt/intel_cc_80/bin/
source /opt/intel_fc_80/bin/  (or similar path)
This will setup the correct LD_LIBRARY_PATH and PATH environment variables
for you.
You can also compile amber statically (./configure ... -static ...) and
avoid this problem. Although for parallel you also need to compile the mpi
installation statically.
All the best
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- |
| | PGP Key available on request |
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Received on Sun Feb 26 2006 - 06:10:08 PST
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