The problem is that there is an include directive specifying
'cusp/detail/config.h', but the CUSP directory cusplibrary-0.5.1 does
not have a 'detail' subdirectory. Perhaps that was not committed?
-Dan
On Thu, Mar 9, 2017 at 11:58 AM, Ray Luo <rluo.uci.edu> wrote:
> I suppose this is for ./configure -cuda gnu with cuda7.5?
>
> We tested both cuda 7.5 and 8.0 with gnu before pushing. We'll test
> the current version again ...
>
> 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 Thu, Mar 9, 2017 at 5:57 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>> Still fails for me:
>>
>> ```
>> make[3]: Leaving directory
>> `/mnt/raid0/droe/Amber/GIT/amber-test/AmberTools/src/arpack'
>> /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>
>> ^
>> compilation terminated.
>> ```
>>
>> -Dan
>>
>>
>> On Wed, Mar 8, 2017 at 4:36 PM, Ray Luo <rluo.uci.edu> wrote:
>>> Dan,
>>>
>>> I just added the cusp library to AmberTools/src/. Could you try again
>>> to see whether it compiles this time? We tested both cuda 8.0 and 7.5
>>> on rocks and both worked.
>>>
>>> All the best,
>>> 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 Tue, Mar 7, 2017 at 9:48 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>> Clean GIT master: 0494517ae737e465fdd737684454526f7ad14d26
>>>>
>>>> ./configure --with-python `which python` -cuda gnu
>>>>
>>>> ```
>>>> make[2]: Entering directory
>>>> `/mnt/raid0/droe/Amber/GIT/amber-test/AmberTools/src/pbsa'
>>>> Error: CUSP_HOME is not properly set. This must point to your CUSP
>>>> library installation.
>>>> make[2]: *** [.cuda_precheck] Error 2
>>>> make[2]: Leaving directory
>>>> `/mnt/raid0/droe/Amber/GIT/amber-test/AmberTools/src/pbsa'
>>>> make[1]: *** [cuda_serial] Error 2
>>>> ```
>>>>
>>>> The message offers no clues as to what CUSP_HOME is supposed to refer
>>>> to but I assume it's this: https://developer.nvidia.com/cusp
>>>>
>>>> CUSP appears to come with CUDA 8.0 (at least there is a libcusparse.so
>>>> in the lib64 subdir). However, some fiddling around shows PBSA expects
>>>> CUSP_HOME to point to something that has a /cusp subdirectory. I'm
>>>> guessing previously this was an add-on install for CUDA?
>>>>
>>>> Bottom line is that currently it seems that CUDA-enabled PBSA depends
>>>> on this, but it is not properly checked for during configure. Probably
>>>> configure should search for CUSP and set a config.h variable pointing
>>>> to it, or leave it blank if not found. The entire CUDA install
>>>> shouldn't fail just because this one piece isn't there.
>>>>
>>>> -Dan
>>>>
>>>> _______________________________________________
>>>> 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
>>
>>
>>
>> --
>> -------------------------
>> 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
>
> _______________________________________________
> 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 Thu Mar 09 2017 - 09:30:04 PST
