AMBER Archive (2006)

Subject: RE: AMBER: amber 8 problem

From: Ross Walker (
Date: Mon Feb 20 2006 - 11:05:57 CST

> /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)

BASH ---- 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 Ross

/\ \/ |\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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