Problem to build with cuda

[Alfio Lazzaro]

Hello Fabricio,
If I understand correctly, the arch file you are using is named 
cp2k-vhpc-gnu4.8-cuda.sopt
Now, based on the arch file template Linux-x86-64-cuda.sopt, I see that you 
are missing two important entries in your arch file:

NVCC     = nvcc
NVFLAGS  = $(DFLAGS) -O3 -arch sm_35

I think with that you should fix your problem. Please add those lines to 
arch file, clean everything (make realclean), and rebuild everything.

Regards,

Alfio




Il giorno lunedì 4 gennaio 2016 19:21:44 UTC+1, fab... at versatushpc.com.br 
ha scritto:
>
> Hello there
>
> I'm having issues with the above in a Linux centos 6.5 machine, with the 
> following setup:
>
> CC: gcc 4.8.2
> FC: gfortran 4.8.2
> fft: fftw 3.3.4
> blas/lapack: openblas 0.2.15
> libint/libderiv: 1.1.5
> cuda: 6.5-14
>
>
> ==== ==== ==== ==== arch file ==== ==== ==== ====
> CC         = gcc
> CPP        =
> FC         = gfortran
> LD         = gfortran
> AR         = ar -r
> FFTW_INC   = /opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include
> FFTW_LIB   = /opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64
> DFLAGS     = -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 
> -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__ACC -D__PW_CUDA
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O2 -g -ffast-math -ffree-form 
> -ffree-line-length-none   \
>              -ftree-vectorize -funroll-loops -fsecond-underscore \
>              -I/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/include 
> -I/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include
> LDFLAGS    = $(FCFLAGS)
> LIBS       = -L/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/lib64 
> -lopenblas   \
>             -L/usr/local/cuda-6.5/lib64 -lcufft -lcublas -lcudart \
>            -L/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64 -lfftw3   \
>             -lderiv -lint -lrt
> ==== ==== ==== ==== arch file ==== ==== ==== ====
>
>
> "make VERSION=sopt" fails with the following error:
> ===============================================
> gfortran -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 
> -D__MAX_CONTR=4 -D__ACC -D__PW_CUDA -O2 -g -ffast-math -ffree-form 
> -ffree-line-length-none -ftree-vectorize -funroll-loops -fsecond-underscore 
> -I/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/include 
> -I/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/include 
> -D__COMPILE_ARCH="\"cp2k-vhpc-gnu4.8-cuda\"" -D__COMPILE_DATE="\"Seg Jan  4 
> 16:05:16 BRST 2016\"" 
> -D__COMPILE_HOST="\"gputest-0-14\"" -D__COMPILE_REVISION="\"svn:16458\"" 
> -D__DATA_DIR="\"/home/rpmbuild/build/cp2k-3.0/data\"" 
> -L/home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt -o 
> /home/rpmbuild/build
> /cp2k-3.0/exe/cp2k-vhpc-gnu4.8-cuda/dbcsr_example_1.sopt 
> dbcsr_example_1.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm -ldbcsrops 
> -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr -lcp2kmpiwrap 
> -lmics
> mm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl -lcp2kbase 
> -L/opt/versatushpc/libraries/openblas/0.2-gnu-4.8/lib64 -lopenblas 
> -L/usr/local/cuda-6.5/lib64 -lcufft -lcublas -lcudart 
> -L/opt/versatushpc/libraries/fftw/3.3-gnu-4.8/lib64 -lfftw3 -lderiv -lint 
> -lrt
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_hostmem.o): 
> In function `acc_hostmem_dealloc_raw':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_hostmem.F:147: undefined 
> reference to `acc_host_mem_deallocate'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_hostmem.o): 
> In function `acc_hostmem_alloc_raw':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_hostmem.F:120: undefined 
> reference to `acc_host_mem_allocate'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_event_synchronize':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:249: undefined reference 
> to `acc_event_synchronize'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_event_query':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:226: undefined reference 
> to `acc_event_query'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_event_destroy':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:200: undefined reference 
> to `acc_event_destroy'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_event_create':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:177: undefined reference 
> to `acc_event_create'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_event_record':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:153: undefined reference 
> to `acc_event_record'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_event.o): 
> In function `__acc_event_MOD_acc_stream_wait_event':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_event.F:123: undefined reference 
> to `acc_stream_wait_event'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): 
> In function `__acc_stream_MOD_acc_stream_priority_range':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:210: undefined 
> reference to `acc_stream_priority_range'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): 
> In function `__acc_stream_MOD_acc_stream_synchronize':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:189: undefined 
> reference to `acc_stream_sync'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): 
> In function `__acc_stream_MOD_acc_stream_destroy':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:165: undefined 
> reference to `acc_stream_destroy'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_stream.o): 
> In function `__acc_stream_MOD_acc_stream_create':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_stream.F:142: undefined 
> reference to `acc_stream_create'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `dev2host_raw':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:493: undefined 
> reference to `acc_memcpy_d2h'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `host2dev_raw':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:457: undefined 
> reference to `acc_memcpy_h2d'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `__acc_devmem_MOD_acc_devmem_setzero_bytes':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:421: undefined 
> reference to `acc_memset_zero'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `__acc_devmem_MOD_acc_devmem_deallocate':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:375: undefined 
> reference to `acc_dev_mem_deallocate'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `__acc_devmem_MOD_acc_devmem_allocate_bytes':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:347: undefined 
> reference to `acc_dev_mem_allocate'
> /home/rpmbuild/build/cp2k-3.0/lib/cp2k-vhpc-gnu4.8-cuda/sopt/libcp2kacc.a(acc_devmem.o): 
> In function `__acc_devmem_MOD_acc_devmem_ensure_size_bytes':
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:209: undefined 
> reference to `acc_dev_mem_allocate'
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:231: undefined 
> reference to `acc_dev_mem_deallocate'
> /home/rpmbuild/build/cp2k-3.0/src/acc/acc_devmem.F:225: undefined 
> reference to `acc_memcpy_d2d'
> collect2: error: ld returned 1 exit status
> make[3]: ** 
> [/home/rpmbuild/build/cp2k-3.0/exe/cp2k-vhpc-gnu4.8-cuda/dbcsr_example_1.sopt] 
> Erro 1
> make[2]: ** [all] Error 2
> make[1]: ** [sopt] Error 2
> make: ** [all] Error 2
> ===============================================
>
>
> I've tried all gfortran options related to underscoring functions and the 
> same error happens, both with 2.6.2 and 3.0 versions.
>
>
> Any clue to what's wrong is welcome.
>
> TIA,
> Fabricio
>
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