[AMBER-Developers] Quick and CUDA in AmberTools

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 23 Feb 2016 07:29:41 -0800

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?

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.

Can you verify that Quick will work with 7.5 please.

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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