AMBER Archive (2006)

Subject: Re: AMBER: Error while running test.serial in Amber9

From: Priti Hansia (
Date: Thu May 04 2006 - 10:48:36 CDT

Dear David,

Thanks a lot for your suggestions. I recomplied Amber9 with g95 and all
the test run were successful. Now I need to do the same with parallel
version. I will come back in case I come across any problems.


> On Thu, May 04, 2006, Priti Hansia wrote:

> We may need more time to get gfortran to work for everything, although
> some
> versions of the compiler on some machines have been reported to work OK.
> As an intermediate solution, you can just use what you have (especially if
> you
> are not planning to do targetted MD). Or, you can download g95
> (
> The g95 compiler has worked fine with Amber for about two years or so,
> whereas
> only recently has gfortran even been able to compile the code.
> Of course, it is certainly possible that gfortran is just exposing a bug
> in
> Amber. But I don't have a lot of confidence yet in gfortran. See if g95
> (or
> some other compiler) might meet your needs.
> ...good luck..dac

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