Re: [AMBER] ambertools 1.4, tests

From: Jason Swails <>
Date: Tue, 27 Apr 2010 12:05:33 -0400


On Tue, Apr 27, 2010 at 11:12 AM, Alan <> wrote:

> Hi David W,
> I do have in my .zshrc:
> source /opt/intel/Compiler/11.1/076/bin/ intel64

Yes, I imagine the error you would have gotten would have been something
about missing libraries unless you built with the -static flag, in which
case improperly set library paths won't affect the execution of your binary
(as long as it was properly set when you compiled, but that would've given
rise to a compiler error I'd presume).

Using the intel compilers, I did not have that error, but it appears as
though you're using a very new version of the compiler; the one I downloaded
a month or so ago is 11.1.069, and it tests out just fine with that. There
has been decent traffic on the developers list about some intel compiler
releases working and others not, which is more intel's fault than Amber's
(the consensus is that the intel compilers are becoming increasingly buggy
and convoluted). I think there may also be a list of intel compiler
versions that are known to pass the tests, but I'm not sure where they are.
Perhaps try an older version of the compiler (I've had luck with 11.1.069
and 10.1.015). I know Ross Walker has posted a link to previous versions
before, but I can't find it, so perhaps he can dig it up again if you have a
hard time finding a place to download the compilers.

Good luck!

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Tue Apr 27 2010 - 09:30:03 PDT
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