> On Feb 23, 2016, at 11:57 AM, Gerald Monard <Gerald.Monard.univ-lorraine.fr> wrote:
>
> Hello,
>
> I was going to send to all of you some details about the current status
> of Quick in the next few days, but you were faster...
>
> So, for some details:
>
> On 02/23/2016 04:29 PM, Ross Walker wrote:
>> Hi Gerald,
>>
>> I see commits for Quick in master. This looks cool. Note will it be built as part of the standard ./configure -cuda build?
Yes, I agree, its great to see Quick in AMBER! Thank you Gerald!
>>
>
> Yes and no. For the moment, the AmberTools/src/Makefile contains a line
> for building quick.cuda but it is commented out. My problem right now is
> that one of the cuda files needs ~1.5 hour to compile! I was going to
> request some help from Kennie's group and yours to see if we can speed
> up compilation.
> For the moment, only the serial and MPI versions of quick are built by
> default. If you want quick.cuda, you need to "cd AmberTools/src/quick &&
> make”.
This is probably the d or f orbital integral code that is taking so long. Yipu can comment on this.
Take care,
Kennie
>
>> One thing to note is that pmemd.cuda from AMBER 16 onwards is going to need a minimum of NVCC v7.5 so it would probably be best if we just restrict the whole of AMBER + AmberTools to require a minimum of NVCC 7.5 for simplicity.
>>
>
> OK. I guess you worried about the cuda-5.0... I currently writing tests
> and I'm checking that I can have the same results for cuda > 5. I don't
> mind going directly to 7.5, that will save me some work.
>
>> Can you verify that Quick will work with 7.5 please.
>
> OK.
>
> Best,
>
> Gerald.
>
>>
>> All the best
>> Ross
>>
>>> On Feb 23, 2016, at 05:00, git repository hosting <gitosis.amber.sdsc.edu> wrote:
>>>
>>>
>>> The project "git repository for AMBER":
>>>
>>> The branch, master has been updated
>>> via 39702f2e60f0efa6159774fadb3851744ce40c28 (commit)
>>> from 71bb82b19f095770fcdd3c409f4e880e388ce95c (commit)
>>>
>>>
>>> - Log -----------------------------------------------------------------
>>> commit 39702f2e60f0efa6159774fadb3851744ce40c28
>>> Author: Gerald Monard <Gerald.Monard.univ-lorraine.fr>
>>> Date: Tue Feb 23 13:57:25 2016 +0100
>>>
>>> QUICK: serial GPU version OK (cuda-5.0 + intel 2012)
>>>
>>> -----------------------------------------------------------------------
>>>
>>> Summary of changes:
>>> AmberTools/src/quick/Makefile | 2 +-
>>> AmberTools/src/quick/src/cuda/gpu_common.h | 28 ++++++++++++++++++++++++----
>>> AmberTools/src/quick/src/cuda/gpu_get2e.cu | 2 +-
>>> 3 files changed, 26 insertions(+), 6 deletions(-)
>>>
>>> --
>>> git repository for AMBER
>>>
>>> _______________________________________________
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>>> http://lists.ambermd.org/mailman/listinfo/cvs-notification
>>
>>
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>>
>
> --
> ____________________________________________________________________________
>
> Prof. Gerald MONARD
> SRSMC, Université de Lorraine, CNRS
> Boulevard des Aiguillettes B.P. 70239
> F-54506 Vandoeuvre-les-Nancy, FRANCE
>
> e-mail : Gerald.Monard.univ-lorraine.fr
> tel. : +33 (0)383.684.381
> fax : +33 (0)383.684.371
> web : http://www.monard.info
>
> ____________________________________________________________________________
>
>
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Received on Tue Feb 23 2016 - 11:30:04 PST
