Re: [AMBER-Developers] problems with resp_modules

From: Mengjuei Hsieh <>
Date: Thu, 11 Feb 2010 11:21:00 -0800

On Thu, Feb 11, 2010 at 09:34:41AM -0800, Mark Williamson wrote:
> I'm not seeing any issues on a x86_64 PC with gfortran "4.1.2" and 4.4.3:
> What version of gfortran is MacOS using? IIRC, they always seem to
> package up some bleeding edge version (~4.5) of gcc, hence the
> probability of getting bitten by compiler bugs is greater.


It's possible that Mac OS X's gcc is doing something funny here, perhaps
we can pass it (definitely a bug, right?) to the GCC team in the future.

I am using gfortran (gcc 4.4.2 on Mac OS X 10.6.2), I can confirm that
previous version of resp_modules.f90 does build a 2GB object. Current
resp_modules.f90 builds me a 22M files.

Imagine what maxq value can do....

Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
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Received on Thu Feb 11 2010 - 11:30:03 PST
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