IMO, Since pbsa.cuda was extensively tested (recently) by several
developers, so
I think we can make it built as default.
Hai
On Thu, Apr 6, 2017 at 4:45 PM, David A Case <david.case.rutgers.edu> wrote:
> On Thu, Apr 06, 2017, Brent Krueger wrote:
>
> > However, I am now unable to build with CUDA. I have CUDA-7.5 and Intel
> > compilers v12.0 (which worked fine for amber16 last year). When building
> > the CUDA code I get an error message suggesting that I need to have Intel
> > compilers v15.0 or newer (full message below). The error looks to me to
> be
> > coming from the cuda tree itself. Since this is the same cuda with the
> > same Intel I used before, I'm confused by this. Any thoughts about why
> > this has crept up now when it didn't with amber16?
>
> Why it comes up now is simple: for the first time, AmberTools now has a
> cuda
> component: the brand-new pbsa.cuda code. This in terms makes use of the
> NVIDIA cusp library (unused by pmemd.cuda), and your error is coming from
> trying to compile the cusp library:
>
> > /usr/local/cuda/bin/nvcc -gencode arch=compute_20,code=sm_20 -gencode
> > arch=compute_30,code=sm_30 -gencode arch=compute_50,code=sm_50 -gencode
> > arch=compute_52,code=sm_52 -gencode arch=compute_53,code=sm_53
> > -use_fast_math -O3 -ccbin icpc -I../cusplibrary-0.6.0-rc -o
> > cuda_cg_wrapper.o -c cuda_cg_wrapper.cu -DCUSP -DPCG -DJacobi -DDIA
> ^^^^^^^^^^^^^^^^^^
>
> > /usr/local/cuda/bin/..//include/host_config.h(79): catastrophic error:
> > #error directive: -- unsupported ICC configuration! Only ICC 15.0 on
> Linux
> > x86_64 is supported!
>
>
> Given the pbsa.cuda is so new, and various combinations of compilers
> have not been extensively tested, I think we really need a "--no-pbsa.cuda"
> option to configure2, to just skip building that. It's also a question
> about what the default should be: try to build pbsa.cuda by default, or
> skip
> it by default?
>
> Comments/suggestions are welcome, especiall from the UCI folks.
>
> ....dac
>
>
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Received on Thu Apr 06 2017 - 14:30:02 PDT
