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

From: Ray Luo <rluo.uci.edu>
Date: Fri, 10 Mar 2017 16:22:38 -0800

It's great that it also works with intel ...

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 3:28 PM, Gerald Monard
<Gerald.Monard.univ-lorraine.fr> wrote:
> I do
> - git clean -fdx
> - ./configure -cuda gnu
> - cd AmberTools/src && make -j8 install
>
> That's all
>
> This is what I have on my side:
> - gcc 4.4.7 & cuda 8.0: OK
> - gcc 4.4.7 & cuda 7.5: OK
> - gcc 5.1.0 & cuda 8.0: OK
> - gcc 5.1.0 & cuda 7.5: NO
>
> /apps/cuda/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 /apps/cuda/cuda-7.5/include/cuda_runtime.h:76:0,
>                   from <command-line>:0:
> /apps/cuda/cuda-7.5/include/host_config.h:115:2: error: #error --
> unsupported GNU version! gcc versions later than 4.9 are not supported!
>   #error -- unsupported GNU version! gcc versions later than 4.9 are not
> supported!
>    ^
> make[1]: *** [cuda_cg_wrapper.o] Error 1
> make[1]: Leaving directory
> `/home/gmonard/amber-git-master/AmberTools/src/pbsa'
>
> That may be system dependent. I don't know.
>
> - intel 16 & cuda 8.0: OK
> - intel 15 & cuda 7.5: OK
>
> On that machine, I cannot test any other flavor of gcc. I'll try
> tomorrow on another machine with more flavors.
>
> G.
>
> On 03/11/2017 12:04 AM, Daniel Roe wrote:
>> What options are you passing to configure besides -cuda gnu?
>>
>> On Fri, Mar 10, 2017 at 5:16 PM, Gerald Monard
>> <Gerald.Monard.univ-lorraine.fr> wrote:
>>> I've redone it after a 'git clean -fdx'.
>>> It still compiles.
>>> I'm going to test other gcc and cuda version.
>>>
>>> Gerald.
>>>
>>> On 03/10/2017 10:37 PM, Daniel Roe wrote:
>>>> 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
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> _______________________________________________
>>>> 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
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Received on Fri Mar 10 2017 - 16:30:02 PST
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