Re: [AMBER-Developers] CUDA build fails for PBSA

From: Ray Luo <rluo.uci.edu>
Date: Fri, 10 Mar 2017 12:39:35 -0800

Cool! It builds with both cuda 7.5 and 8.0 on Rocks 6.2. The GNU is 4.4.7 ...

Ray
--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical Physics, Biomedical Engineering, and Chemical Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Fri, Mar 10, 2017 at 11:59 AM, Gerald Monard
<Gerald.Monard.univ-lorraine.fr> wrote:
> Hello,
>
> It builds for me now (gcc + cuda 8.0).
>
> Gerald.
>
> On 03/10/2017 07:34 PM, Ray Luo wrote:
>> Gerald,
>>
>> After I "git add" these files by force, looks like they are in. Could
>> you check whether you can see these files?
>>
>> I'm compiling a "git clean -xfd"-ed version.
>>
>> Ray
>> --
>> Ray Luo, Ph.D.
>> Professor of Structural Biology/Biochemistry/Biophysics,
>> Chemical Physics, Biomedical Engineering, and Chemical Engineering
>> Department of Molecular Biology and Biochemistry
>> University of California, Irvine, CA 92697-3900
>>
>>
>> On Fri, Mar 10, 2017 at 8:30 AM, Gerald Monard
>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>> Hello,
>>>
>>> When I compare the "original" (=downloaded) version of
>>> cusplibrary-0.5.1, I can see the following files missing in the amber
>>> git tree:
>>> ./build
>>> ./build/build-env.py
>>> ./build/g++.py
>>> ./build/nvcc.py
>>> ./cusp
>>> ./cusp/detail
>>> ./cusp/detail/config.h
>>>
>>> All the best,
>>>
>>> Gerald.
>>>
>>> On 03/10/2017 02:39 PM, Jason Swails wrote:
>>>> On Fri, Mar 10, 2017 at 8:12 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>>
>>>>> As of commit 372e01050807ea56cfe36e8164a4f8b4d59b9d1b, still broken. Same
>>>>> error.
>>>>>
>>>>> ```
>>>>> /usr/local/cuda-7.5/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 g++
>>>>> -I../cusplibrary-0.5.1 -o cuda_cg_wrapper.o -c cuda_cg_wrapper.cu
>>>>> -DCUSP -DPCG -DJacobi -DDIA
>>>>> In file included from cuda_cg_wrapper.cu:832:0:
>>>>> ../cusplibrary-0.5.1/cusp/csr_matrix.h:23:32: fatal error:
>>>>> cusp/detail/config.h: No such file or directory
>>>>>  #include <cusp/detail/config.h>
>>>>> ```
>>>>
>>>>
>>>>> File is indeed missing:
>>>>>
>>>>> ```
>>>>> $ cd $AMBERHOME/AmberTools/src/pbsa
>>>>> $ ls ../cusplibrary-0.5.1/cusp/detail/config.h
>>>>> ls: cannot access ../cusplibrary-0.5.1/cusp/detail/config.h: No such
>>>>> file or directory
>>>>> ```
>>>>
>>>>
>>>>> There is no config.h anywhere in the cusp directory. Have you tested
>>>>> by pulling a fresh copy into a new directory and then attempting to
>>>>> configure/install? Am I the only one seeing this?
>>>>>
>>>>
>>>> config.h is in .gitignore (since we don't want to track *our* config.h).
>>>> This is preventing Ray from adding it and "git status" from finding it.
>>>>
>>>> I've fixed this so it should ignore *only* the config.h files that our
>>>> configure script generates..
>>>>
>>>> .Ray, try adding it again.  And after you do, please try a fresh clone and
>>>> build (which would have caught this missing file) and make sure that works
>>>> first.
>>>>
>>>> All the best,
>>>> Jason
>>>>
>>>
>>> --
>>> ____________________________________________________________________________
>>>
>>>   Prof. Gerald MONARD
>>>   Directeur du mésocentre EXPLOR
>>>   Université de Lorraine
>>>   Boulevard des Aiguillettes B.P. 70239
>>>   F-54506 Vandoeuvre-les-Nancy, FRANCE
>>>
>>>   e-mail : Gerald.Monard.univ-lorraine.fr
>>>   phone  : +33 (0)372.745.279
>>>   web    : http://www.monard.info
>>>
>>> ____________________________________________________________________________
>>>
>>>
>>> _______________________________________________
>>> AMBER-Developers mailing list
>>> AMBER-Developers.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
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>
> --
> ____________________________________________________________________________
>
>   Prof. Gerald MONARD
>   Directeur du mésocentre EXPLOR
>   Université de Lorraine
>   Boulevard des Aiguillettes B.P. 70239
>   F-54506 Vandoeuvre-les-Nancy, FRANCE
>
>   e-mail : Gerald.Monard.univ-lorraine.fr
>   phone  : +33 (0)372.745.279
>   web    : http://www.monard.info
>
> ____________________________________________________________________________
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
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Received on Fri Mar 10 2017 - 13:00:02 PST
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