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

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 10 Mar 2017 20:07:16 +0000

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
> >>
> >>
> ____________________________________________________________________________
> >>
> >>
> >> _______________________________________________
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> >> 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
>
>
> ____________________________________________________________________________
>
>
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>
-- 
-------------------------
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
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Received on Fri Mar 10 2017 - 12:30:03 PST
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