<div dir="ltr">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:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi Users and Developers,<div> </div><div>I am getting a compile-time error at some of the CUDA instances while building the POPT version of CP2K.</div><div> </div>Frank-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_' <div>make: *** [build] Error 2I 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.</div>#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 <div>OBJECTS_ARCHITECTURE = machine_intel.o</div><div> Abhishek<div style="color:rgb(80,0,80);font-family:arial,sans-serif"><div><div><div><div><div> ----------------------------------------------------------------------------------------------------------- Abhishek Bagusetty </div>PhD Student, Computational Modeling & Simulation </div>Center for Simulation and Modeling </div>Department of Chemical & Petroleum Engineering </div>University of Pittsburgh Pittsburgh, PA - 15261</div>Office : 920 Benedum Hall</div><div style="color:rgb(80,0,80);font-family:arial,sans-serif">-----------------------------------------------------------------------------------------------------------</div></div></div></blockquote></div>