[AMBER-Developers] Updating pb_fft to use FFTW3.3

From: <wmsmith.uci.edu>
Date: Fri, 27 Jan 2012 18:59:07 -0800

Dr. Luo,
  Qin helped me make needed changes to the Makefile.
  running make clean and then make worked successfully and gives good
results when tested.
-Wes
> Okay, we're very close to cleaning up the code and set up the defaults ...
>
> Ray
>
> On Thu, Jan 26, 2012 at 7:58 AM, David A Case <case.biomaps.rutgers.edu>
> wrote:
>> Hi everyone:
>>
>> We need to pick up the pace of getting material submitted for the
>> Amber12
>> release.  Some of the major items on my mental list:
>>
>> Junmei: updates to antechamber
>>
>> Ray, Qin, Tyler, etc:  get rid of fftw2; don't put pbsa into parallel
>> sander
>>   or parallel NAB.  [My personal preference is not to have the fft
>> solver,
>>   since it doesn't seem to work very well.]
>>
>> Yong:  code and force field files and documentation for pol12
>>
>> James, Carlos: documentation for ff12SB
>>
>> Tyler, Dave: final updates to rism and mdgx
>>
>> Everyone: updates to the author and contributor lists
>>          updates to the Users' manual
>>          updates to the tutorials
>>
>> Next (final!?!?!) code freeze will be Feb. 15.  Requests for excpetions
>> will need exceptional justification.  We can probably make changes to
>> the
>> documentation for a week or two after that.
>>
>> ...thx...dac
>>
>>
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>
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Received on Fri Jan 27 2012 - 19:00:03 PST
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