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

From: Ray Luo <rluo.uci.edu>
Date: Fri, 10 Mar 2017 09:42:11 -0800

Okay ... will address your emails one by one next ...

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 5:39 AM, Jason Swails <jason.swails.gmail.com> 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
>
> --
> Jason M. Swails
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> AMBER-Developers.ambermd.org
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Received on Fri Mar 10 2017 - 10:00:03 PST
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