AMBER: amber9

From: Piotr Cieplak <cieplak.cgl.ucsf.edu>
Date: Fri, 14 Jul 2006 15:02:36 -0700 (PDT)

I am having problems with compiling/loading amber9 in parallel mode on linux machine.
When using default setup for linking in config.h:

LOADLIB= -L/usr/local/bin/lib -lmpichf90 -lmpich -lpthread -lrt -lsvml

and then trying to run sander.MPI I am getting information that
libsvml.so library cannot be loaded:

sander.MPI: error while loading shared libraries: libsvml.so:
cannot open shared object file: No such file or directory


This fortran library is located in my case in /opt/intel_fc_80/lib
and my environment is properly setup for recognizing the path to this directory.
(maybe the program tries to load it from /usr/local/bin/lib?)

(this is excerpt from env:
LD_LIBRARY_PATH=/usr/local/lib:/opt/intel_fc_80/lib)

Amber8 loads fine, although setup in config.h was different.
Anyone has any suggestion what could be wrong?

Thanks
Piotr
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Received on Sun Jul 16 2006 - 06:07:08 PDT
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