Dear Forum,<div>I have built the latest release version of CP2k (2022.1) using the toolchain, GNU 8.4.0, MKL 2021.3 and using the following options:</div><div>CP2K_TOOLCHAIN_OPTIONS="-j 8 --with-gcc=system --with-cmake --with-mkl=system --enable-cuda --gpu-ver=V100 --no-check-certificate --with-elpa=no --with-sirius=no --with-spla=no"<br></div><div><br></div><div>When I run the input file attached below, I get a CPASSERT error shown in the cp2k.out file.  Is there a way to fix this?</div><div><br></div><div>Thank you for your help,</div><div>Jerry</div>

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