[Pw_forum] QE-GPU "configure" question

[Paolo Giannozzi]

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P.

On Wed, 2013-06-05 at 19:03 -0700, Christopher O'Grady wrote:
> 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
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222