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<p>Hi Mandar</p>
<p>The error is "Could not link cublas; try to set the cuda-path or
disable GPU support". This happens because configure is called
without setting the path to cuda. To properly do that you can set
the environment variable CUDA_PATH before running the toolchain,
e.g. export CUDA_PATH=path_to_cuda. elpa then expects the cublas
library in path_to_cuda/lib64</p>
<p>Cheers</p>
<p>Fabian<br>
</p>
<div class="moz-cite-prefix">On 23.06.2021 22:37,
<a class="moz-txt-link-abbreviated" href="mailto:mand...@gmail.com">mand...@gmail.com</a> wrote:<br>
</div>
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cite="mid:b9c7e7e1-e7b0-47...@googlegroups.com">
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<div>Dear CP2K community,</div>
<div><br>
</div>
<div>I am installing cp2k 8.2 with toolchain options on Ubuntu
20.04 LTS with working CUDA drivers installed. (CUDA 11.2 +
driver version 460.84)<br>
</div>
<div><br>
</div>
<div>./install_cp2k_toolchain.sh --gpu-ver=V100 --enable-cuda
--with-openmpi=system --with-libxc=install --with-libint=install
--with-fftw=install --with-openblas=install --with-elpa=install
--with-libxsmm=install --with-plumed=install</div>
<div><br>
</div>
<div>During the installation of ELPA, I faced an error for the GPU
version (../build/elpa-2020.11.001/build_gpu/config.log). I have
attached the log file generated during elpa installation. <br>
</div>
<div><br>
</div>
<div>Any help or suggestions would be highly appreciated.</div>
<div><br>
</div>
<div>Best,</div>
<div>Mandar Kulkarni<br>
</div>
<div><br>
</div>
<div><br>
</div>
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