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

From: Ray Luo <rluo.uci.edu>
Date: Fri, 10 Mar 2017 12:48:25 -0800

Will test this with gcc 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 12:34 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Reproduced with gcc 5.3.1 and cuda 7.5 on different machine. Confirmed that
> the issue was solved by the addition of -lstdc++ during linking.
> Alternatively you can use g++ to link with the -lgfortran flag. Not tested
> with other compilers yet.
>
> -Dan
>
> On Fri, Mar 10, 2017 at 3:07 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
>> What version gcc out of curiosity?
>>
>> On Fri, Mar 10, 2017 at 3:00 PM 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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>> > AMBER-Developers.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>> >
>>
>> --
>>
>> ____________________________________________________________________________
>>
>>   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
>>
>> --
>> -------------------------
>> Daniel R. Roe
>> Laboratory of Computational Biology
>> National Institutes of Health, NHLBI
>> 5635 Fishers Ln, Rm T900
>> Rockville MD, 20852
>> https://www.lobos.nih.gov/lcb
>>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
> _______________________________________________
> 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 - 13:00:03 PST
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