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

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 10 Mar 2017 16:37:33 -0500

And was this from a clean directory? All of the times I have gotten
the error have been from clean or freshly cloned GIT trees.

On a third machine with gcc 4.8.4, cuda 8.0, ubuntu 14.04, same error.

-Dan

On Fri, Mar 10, 2017 at 4:17 PM, Gerald Monard
<Gerald.Monard.univ-lorraine.fr> wrote:
> Oups. I forgot: gcc-4.4.7 on Red Hat 6.3
>
> Gerald.
>
> On 03/10/2017 09:07 PM, Daniel Roe 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
>>>>
>>>> _______________________________________________
>>>> AMBER-Developers mailing list
>>>> 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
>>>
>
> --
> ____________________________________________________________________________
>
> 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



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Received on Fri Mar 10 2017 - 14:00:02 PST
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