Re: [AMBER-Developers] more on ptraj compilation with Intel

From: case <>
Date: Thu, 4 Mar 2010 23:16:56 -0500

On Thu, Mar 04, 2010, Scott Brozell wrote:
> That's not clear; at OSC ptraj builds fine (ignoring a gizzilion
> warnings from the C++ish hacking in cluster.h)
> with intel 10 and 11; there's no LIBRARY_PATH.

Are you sure? Are you not running a script like
called from

paths may be different, but should be recognizable.

These scripts (plus ifort and mkl analogs) definitely set the LIBRARY_PATH
variable, at least at Rutgers. [version 10 scripts don't set this variable.]

Actually, it looks like maybe both C and Fortran libraries are in
/usr/local/intel-10.0.023/lib at OSC, which is different than the layout
for "most" installations. So maybe this is why things work at OSC (version
10) but fail at other locations.

I have to retire now, and won't be able to work on this tomorrow. Thanks for
the work done so far.

> low tech, but should work;
> i prefer to investigate higher tech 1st.

I've lost track of what you think is high tech, but that's OK.


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Received on Thu Mar 04 2010 - 20:30:02 PST
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