[CP2K:8300] Problem in Compiling CUDA Version of CP2K 4.1

[Chi-Duen Poon]

I download SVN revision 17503 today.  The compilation has gone pass cusmm. 
 However, I run into another error.  Here is the error message.

/home/cdpoon/Downloads/cp2k/cp2k/src/pw/cuda/fft_cuda_z.cu(73): error: 
identifier "CUFFT_COMPATIBILITY_NATIVE" is undefined

/home/cdpoon/Downloads/cp2k/cp2k/src/pw/cuda/fft_cuda_z.cu(142): error: 
identifier "CUFFT_COMPATIBILITY_NATIVE" is undefined

/home/cdpoon/Downloads/cp2k/cp2k/src/pw/cuda/fft_cuda_z.cu(210): error: 
identifier "CUFFT_COMPATIBILITY_NATIVE" is undefined

3 errors detected in the compilation of 
"/tmp/tmpxft_00006c08_00000000-7_fft_cuda_z.cpp1.ii".
make[3]: *** [fft_cuda_z.o] Error 2
make[2]: *** [all] Error 2
make[1]: *** [ssmp] Error 2
make: *** [all] Error 2

What should I do to fix this problem?

On Tuesday, October 25, 2016 at 6:38:21 PM UTC-4, Ole Schütt wrote:
>
> Dear Chi-Duen, 
>
> the problem with Cuda 8.0 has been fixed in SVN revision 17473. 
> Unfortunately, the issue only came to our attention shortly after the 
> CP2K 4.1 release. 
>
> -Ole 
>
>
> On 2016-10-25 21:27, Chi-Duen Poon wrote: 
> > I have no problem compiling sopt and ssmp of CP2K 4.1 in CentOS 7.2. 
> >  However, I am getting the following error to add CUDA support. 
> >  CUDA is at version 8.0. 
> > 
> > <command-line>:0:0: warning: "__GNUC_MINOR__" redefined [enabled by 
> > default] 
> > <built-in>:0:0: note: this is the location of the previous definition 
> > 1 error detected in the compilation of 
> > "/tmp/tmpxft_000031e7_00000000-5_libcusmm_part03.cpp4.ii". 
> > make[3]: *** [libcusmm_part03.o] Error 2 
> > 
> /nas02/data/thl/packages/el7/BUILD/x86_64/cp2k-4.1/src/dbcsr/libsmm_acc/libcusmm/./kernels/cusmm_common.h(15): 
>
> > error: function "atomicAdd(double *, double)" has already been defined 
> > 
> > 
> /nas02/data/thl/packages/el7/BUILD/x86_64/cp2k-4.1/src/dbcsr/libsmm_acc/libcusmm/./kernels/cusmm_common.h(15): 
>
> > error: function "atomicAdd(double *, double)" has already been defined 
> > 
> > 
> /nas02/data/thl/packages/el7/BUILD/x86_64/cp2k-4.1/src/dbcsr/libsmm_acc/libcusmm/./kernels/cusmm_common.h(15): 
>
> > error: function "atomicAdd(double *, double)" has already been defined 
> > 
> > 1 error detected in the compilation of 
> > "/tmp/tmpxft_0000321b_00000000-5_libcusmm_part05.cpp4.ii". 
> > make[3]: *** [libcusmm_part05.o] Error 2 
> > 1 error detected in the compilation of 
> > "/tmp/tmpxft_000031fc_00000000-5_libcusmm_part04.cpp4.ii". 
> > make[3]: *** [libcusmm_part04.o] Error 2 
> > 1 error detected in the compilation of 
> > "/tmp/tmpxft_00003223_00000000-5_libcusmm_part06.cpp4.ii". 
> > make[3]: *** [libcusmm_part06.o] Error 2 
> > make[2]: *** [all] Error 2 
> > make[1]: *** [ssmp] Error 2 
> > make: *** [all] Error 2 
> > 
> > The arch file has the following listing. 
> > 
> > CC          = gcc 
> > CXX         = g++ 
> > CPP         = 
> > AR          = ar -r 
> > FC          = gfortran 
> > LD          = gfortran 
> > # 
> > DFLAGS      = -D__ACC -D__DBCSR_ACC -D__PW_CUDA  -D__LIBXSMM 
> >  -D__FFTW3  -D__LIBINT -D__LIBINT_MAX_AM=6 -D__LIBDERIV_MAX_AM1=5 
> > -D__LIBXC   
> > # 
> > WFLAGS      = -Werror=aliasing -Werror=ampersand 
> > -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std 
> > -Werror=line-truncation -Werror=tabs -Werror=realloc-lhs-all 
> > -Werror=target-lifetime -Werror=underflow 
> > -Werror=unused-but-set-variable -Werror=unused-variable 
> > -Werror=unused-dummy-argument -Werror=conversion -Werror=uninitialized 
> > -Wno-maybe-uninitialized   
> > # 
> > FCDEBFLAGS  = -ffree-form -std=f2003 -fimplicit-none  
> > CFLAGS      = -march=native -fno-omit-frame-pointer -g  -O3 
> > -funroll-loops -ffast-math $(PROFOPT) -fopenmp $(DFLAGS) 
> > FCFLAGS     = -march=native -fno-omit-frame-pointer -g  -O3 
> > -funroll-loops -ffast-math $(PROFOPT) -fopenmp $(FCDEBFLAGS) $(WFLAGS) 
> > $(DFLAGS) -I'/usr/lib64/gfortran/modules' 
> > # 
> > LDFLAGS     = $(FCFLAGS) -Wl,--enable-new-dtags 
> > CUDAPATH    = /usr/local/cuda/lib64/ 
> > LIBS        = -lxsmmf -lxsmm -lxcf90 -lxc -lderiv -lint -lfftw3 
> > -lfftw3_omp -lopenblaso -lstdc++ $(CUDAPATH)/libcudart.so 
> > $(CUDAPATH)/libcufft.so $(CUDAPATH)/libcublas.so -lrt  
> > # 
> > NVCC        = /usr/local/cuda/bin/nvcc -D__GNUC__=4 
> > -D__GNUC_MINOR__=9 -Xcompiler=--std=gnu++98 
> > NVFLAGS     = -arch sm_35 $(DFLAGS) 
> > 
> > Has anyone seen this before?  If you have, how would you fix the 
> > problem?  It looks like it has something to do with libcusmm. 
> > 
> > CD. 
> > 
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