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
>>
>> _______________________________________________
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>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
> _______________________________________________
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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 Thu Mar 09 2017 - 06:00:05 PST
