Hi all,<div><br /></div><div>I compiled cp2k on a Slurm compute node with a V100 with the following command:<br /><br />./install_cp2k_toolchain.sh --enable-cuda=yes --gpu-ver=V100 --with-openmpi=install</div><div><br /></div><div>No errors were reported, but when I go to run a benchmark (on the same node), the GPU is not being utilized. Here's the command I used:</div><div><br /></div><div>mpirun -np 1 ../../exe/local/cp2k.popt -i H2O-2048.inp<br /></div><div><br /></div><div>In fact, the calculation results in an error after a few seconds:</div><div>Extrapolation method: initial_guess<br />[dg-gpunode04:20950:0:20950] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x2b551b96b000)<br />==== backtrace (tid: 20950) ====<br />=================================<br /><br />Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br /><br />Backtrace for this error:<br />#0 0x2b46c0edf62f in ???<br />#1 0x2b46c08a40a7 in ???<br /></div><div><br /></div><div>I'm not really sure what's going on, my CPU version works just fine (besides poor performance on multiple nodes). I would appreciate any feedback.</div><div><br /></div><div>Thank you for your time,</div><div>Ray</div><div><div><br /></div><div><br /></div></div>
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