[gmx-developers] rvec structure

Nathan Moore nmoore at physics.umn.edu
Sun Jul 10 16:33:27 CEST 2005


Then where else is MPI_Wait being called?  I don't mean to beat a dead
horse, but I though the main need for synchronization was when the x and f
arrays were being passed.  MPI_Allgatherv has an implicit synchronization
barrier so no wait is necessary.  I assume there's another parallel
operation that I'm missing that uses Wait - is this correct?

Nathan

> On Sat, 2005-07-09 at 21:05 -0500, Nathan Moore wrote:
>> David,
>>
>> Where else is the ring structure used heavily to pass messages?  I
>> thought
>> move_x and move_f were the two big places.
> That's it basically,
>
> in global_stat the gmx_sum routine is called once...
> In steps when neighboursearching is done the mv_rvecs routines are
> called to communicate the charge groups centers of mass, but that you
> have covered already.
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,          75124 Uppsala, Sweden
> phone:  46 18 471 4205          fax: 46 18 511 755
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>
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