Re: [AMBER-Developers] [ Re: [AMBER] Serial Version of libFpbsa.a]

From: Mengjuei Hsieh <>
Date: Fri, 23 Sep 2011 21:05:28 -0700

On Wed, Sep 21, 2011 at 4:01 PM, Mengjuei Hsieh <> wrote:
> On Sun, Sep 18, 2011 at 05:43:39AM -0400, Jason Swails wrote:
>> However, for sander it's a bit more complicated.  libFpbsa.a must be built
>> in serial first, and there's no convenient way (that I know of) to remove
>> the parallel token from the FPPFLAGS before building libFpbsa.a.  If this
>> requirement really still exists, then I don't see a way of enabling "make
>> parallel" in sander before "make serial" without creating a second copy of
>> the pbsa Makefile that uses a new FPPFLAGS token that doesn't have the -DMPI
>> included.  But then this is another Makefile that the PBSA folks would have
>> to track...
>> However, when I just built libFpbsa.a with the parallel FPPFLAGS and mpif90,
>> it built just fine and the resulting sander passed the tests.  Can the PBSA
>> folks comment on whether this should be allowed now?
> Yes, libFpbsa.a is a little bit more complicated. I tryied to make it
> through with parallel FPPFLAGS, but I forget where was I at this moment.
> So let me go back to finish it and do some test, and then I should be
> able to tell you the answer, soon.

Now parallel sander should build without having to build serial pbsa
first for master branch. Please do let me know if there is any

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Received on Fri Sep 23 2011 - 21:30:03 PDT
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