Hi, I've been meaning to do this for a while, but I'm finally trying to install QE-GPU. We run GPAW-GPU on our cluster of 119 M2090 GPUs, so I have some experience with the devices.
I downloaded QE-GPU-5.0.2-build2.tar.gz. When I do: ./configure --disable-parallel --enable-openmp --enable-cuda --with-gpu-arch=20 --with-cuda-dir=/opt/cuda-4.2 --enable-magma --enable-phigemm I receive: in /opt/cuda-4.2/lib64: checking for library containing cudaGetDeviceCount... -lcudart in /opt/cuda-4.2/lib64: checking for library containing cublasInit... no in /opt/cuda-4.2/lib64: checking for library containing cufftPlan1d... no in /usr/lib64/nvidia: checking for library containing cudaGetDeviceCount... no in /usr/lib64/nvidia: checking for library containing cublasInit... no in /usr/lib64/nvidia: checking for library containing cufftPlan1d... no in /usr/local/cuda/lib64: checking for library containing cudaGetDeviceCount... no in /usr/local/cuda/lib64: checking for library containing cublasInit... no in /usr/local/cuda/lib64: checking for library containing cufftPlan1d... no Looking in install/config.log I see (just looking at the first two lines above): configure:9255: icc -o conftest -O3 -L/opt/cuda-4.2/lib64 conftest.c -lcudart >&5 configure:9255: $? = 0 configure:9272: result: -lcudart configure:9283: checking for library containing cublasInit configure:9322: icc -o conftest -O3 -L/opt/cuda-4.2/lib64 conftest.c >&5 /tmp/iccIh2sBB.o: In function `main': conftest.c:(.text+0x2b): undefined reference to `cublasInit' configure:9322: $? = 1 It looks like the "-lcublas" is missing from the compilation line, although "-lcudart" was correctly there in the previous step. I believe my cuda installation is good because we run GPU calculations all the time. We are running RHEL6. libcublas.so exists: cpo at suncatgpu25 $ ls -rtlL /opt/cuda-4.2/lib64/libcublas.so -rwxr-xr-x 1 root bin 108994128 Jun 4 17:10 /opt/cuda-4.2/lib64/libcublas.so I feel like I'm missing something silly. If someone had some quick suggestions I'd be grateful. Thanks for any advice, chris