<div dir="ltr">Hi Users and Developers,<div><br></div><div>I am getting a compile-time error at some of the CUDA instances while building the POPT version of CP2K.</div><div><br></div><span style="line-height: 18px;"><b>F</b></span><b style="line-height: 18px;">rank-mpi-cuda/popt/libcp2k_lib.a(cuda_memory.o): In function `cuda_memory_mp_cuda_device_mem_release_':</b><br><b style="line-height: 18px;">cuda_memory.f90:(.text+0x12): undefined reference to `fftcu_release_'</b><br><div><p class="p1"><b>make: *** [build] Error 2</b></p><p class="p1">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.</p></div><span style="line-height: 18px;">#module purge</span><br><span style="line-height: 18px;">#module load intel/2013.0</span><br><span style="line-height: 18px;">#module load openmpi/1.8.1-intel</span><br><span style="line-height: 18px;">#module load mkl/2013.0/icc-st-openmpi</span><br><span style="line-height: 18px;">#module load fftw/3.3.2-intel13</span><br><span style="line-height: 18px;">#module load cuda/5.5-rhel</span><br><span style="line-height: 18px;">PERL </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= perl</span><br><span style="line-height: 18px;">CC </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= mpicc</span><br><span style="line-height: 18px;">CPP</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= cpp</span><br><span style="line-height: 18px;">NVCC </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= nvcc -arch=compute_30</span><br><span style="line-height: 18px;">FC </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= mpifort</span><br><span style="line-height: 18px;">LD </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= $(FC)</span><br><span style="line-height: 18px;">AR </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= ar -r</span><br><span style="line-height: 18px;">CFLAGS </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= -O2</span><br><span style="line-height: 18px;">CPPFLAGS = -traditional -C $(DFLAGS) -P -I$(MKL_ROOT)/include/fftw</span><br><span style="line-height: 18px;">DFLAGS </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= -D__INTEL -D__FFTSG</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">-D__parallel -D__SCALAPACK -D__BLACS -D__CUADPW -D__DBCSR_CUDA -D__FFTW3 -D__FFTCU -D__CUBLASDP</span><br><span style="line-height: 18px;">FCFLAGS</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= $(DFLAGS) -I$(INTEL_INC) -O3 -msse2 -heap-arrays 64 -funroll-loops -fpp -free</span><br><span style="line-height: 18px;">NVFLAGS</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= $(DFLAGS)</span><br><span style="line-height: 18px;">LDFLAGS</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= $(FCFLAGS)</span><br><span style="line-height: 18px;">INTEL_INC = /opt/sam/intel/composer_xe_2013.0.079/mkl/include</span><br><span style="line-height: 18px;">MKLPATH</span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= $(MKL_ROOT)/lib/intel64</span><br><span style="line-height: 18px;">CUDAPATH = /opt/sam/rhel6/cuda/5.5/lib64/</span><br><span style="line-height: 18px;">LIBS </span><span style="line-height: 18px;"> </span><span style="line-height: 18px;">= -L$(MKLPATH) \</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_rt.so \</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_lapack95_lp64.a \</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_scalapack_lp64.a \</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_intel_lp64.a\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_sequential.a\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_core.a\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(MKLPATH)/libmkl_blacs_openmpi_lp64.a \</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(CUDAPATH)/libcudart.so\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(CUDAPATH)/libcufft.so\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(CUDAPATH)/libcublas.so\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">$(FFTW_ROOT)/lib/libfftw3f.so.3\</span><br><span style="line-height: 18px;"> </span><span style="line-height: 18px;">-lpthread -lrt</span><br><span style="line-height: 18px;"><br></span><div><p class="p1">OBJECTS_ARCHITECTURE = machine_intel.o</p></div><div><p class="p1">
</p><p class="p1"><br></p><p class="p1">Abhishek</p><div style="color: rgb(80, 0, 80); font-family: arial, sans-serif;"><div><div><div><div><div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);"><br class="Apple-interchange-newline">------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>-----------------<br>Abhishek Bagusetty<br></span></span></font></div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">PhD Student, Computational Modeling & Simulation<br></span></span></font></div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">Center for Simulation and Modeling<br></span></span></font></div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">Department of Chemical & Petroleum Engineering<br></span></span></font></div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">University of Pittsburgh</span><br><span style="color: rgb(0, 0, 255);">Pittsburgh, PA - 15261</span></span></font></div><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">Office : 920 Benedum Hall</span></span></font></div><div style="color: rgb(80, 0, 80); font-family: arial, sans-serif;"><span style="font-family: verdana, sans-serif;"><span style="color: rgb(0, 0, 255);"></span></span><font size="1"><span style="font-family: georgia, serif;"><span style="color: rgb(0, 0, 255);">------------------------------<wbr>------------------------------<wbr>------------------------------<wbr>-----------------</span></span></font></div></div></div>