Issue Compiling CP2K(POPT) - MPI + CUDA

[Vedran Miletić]

You might be mising -lcufft (and possibly also -lcublas and -lcudart).

Regards,
Vedran Miletić

Dana petak, 10. listopada 2014. 14:46:25 UTC+2, korisnik Abhishek Bagusetty 
napisao je:
>
> Hi Users and Developers,
>
> I am getting a compile-time error at some of the CUDA instances while 
> building the POPT version of CP2K.
>
> *F**rank-mpi-cuda/popt/libcp2k_lib.a(cuda_memory.o): In function 
> `cuda_memory_mp_cuda_device_mem_release_':*
> *cuda_memory.f90:(.text+0x12): undefined reference to `fftcu_release_'*
>
> *make: *** [build] Error 2*
>
> I don't understand how to fix this linking issue. It would be great if 
> some one has any suggestions on this . Please find the input file 
> summarized below. Appreciate for your time and effort.
> #module purge
> #module load intel/2013.0
> #module load openmpi/1.8.1-intel
> #module load mkl/2013.0/icc-st-openmpi
> #module load fftw/3.3.2-intel13
> #module load cuda/5.5-rhel
> PERL     = perl
> CC       = mpicc
> CPP      = cpp
> NVCC     = nvcc -arch=compute_30
> FC       = mpifort
> LD       = $(FC)
> AR       = ar -r
> CFLAGS   = -O2
> CPPFLAGS = -traditional -C $(DFLAGS) -P -I$(MKL_ROOT)/include/fftw
> DFLAGS   = -D__INTEL -D__FFTSG  -D__parallel -D__SCALAPACK -D__BLACS 
> -D__CUADPW -D__DBCSR_CUDA -D__FFTW3 -D__FFTCU -D__CUBLASDP
> FCFLAGS  = $(DFLAGS) -I$(INTEL_INC) -O3 -msse2 -heap-arrays 64 
> -funroll-loops -fpp -free
> NVFLAGS  = $(DFLAGS)
> LDFLAGS  = $(FCFLAGS)
> INTEL_INC = /opt/sam/intel/composer_xe_2013.0.079/mkl/include
> MKLPATH  = $(MKL_ROOT)/lib/intel64
> CUDAPATH = /opt/sam/rhel6/cuda/5.5/lib64/
> LIBS     = -L$(MKLPATH) \
>            $(MKLPATH)/libmkl_rt.so \
>            $(MKLPATH)/libmkl_lapack95_lp64.a \
>            $(MKLPATH)/libmkl_scalapack_lp64.a \
>            $(MKLPATH)/libmkl_intel_lp64.a\
>            $(MKLPATH)/libmkl_sequential.a\
>            $(MKLPATH)/libmkl_core.a\
>            $(MKLPATH)/libmkl_blacs_openmpi_lp64.a \
>            $(CUDAPATH)/libcudart.so\
>            $(CUDAPATH)/libcufft.so\
>            $(CUDAPATH)/libcublas.so\
>            $(FFTW_ROOT)/lib/libfftw3f.so.3\
>            -lpthread -lrt
>
> OBJECTS_ARCHITECTURE = machine_intel.o
>
>
> Abhishek
>
>
> -----------------------------------------------------------------------------------------------------------
> Abhishek Bagusetty
> PhD Student, Computational Modeling & Simulation
> Center for Simulation and Modeling
> Department of Chemical & Petroleum Engineering
> University of Pittsburgh
> Pittsburgh, PA - 15261
> Office : 920 Benedum Hall
>
> -----------------------------------------------------------------------------------------------------------
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141104/ba6646e5/attachment.htm>