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 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".
> 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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>
>
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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 - 09:00:05 PST
