<div dir="ltr">Hello, everyone, <div><br></div><div>I am compiling the cp2k 2026.2 version using toolchain with cmake in my cluster. I use the following script:</div><div>source /opt/shared/.spack-edge/dist/bin/setup-env.sh -y<br>module load intel-oneapi-compilers/2023.2.4-raos663<br>module load intel-oneapi-mpi/2021.14.2-x86_64_v4-whckjok<br>module load cmake/3.31.6-npbmige<br><br>export CC=mpiicc<br>export CXX=mpiicpc<br>export FC=mpiifort<br></div><div><br></div><div>./install_cp2k_toolchain.sh \<br>    --with-intel=system \<br>    --mpi-mode=intelmpi \<br>    --with-cmake=system \<br>    --with-plumed=install \<br>    --with-libint=install \<br>    --with-elpa=install \<br>    --with-libxsmm=install \<br>    --with-libxc=install \<br>    --with-fftw=install \<br>    --with-openblas=install \<br>    --with-scalapack=install \<br>    --with-cosma=install \<br>    --with-sirius=install \<br>    --with-libvdwxc=install \<br>    --with-spglib=install \<br>    --with-hdf5=install \<br>    --with-libtorch=yes \<br></div><div><br></div><div>But I always met the following error information in libin:</div><div>[ 99%] Built target int-obj<br>[ 99%] Linking CXX static library libint2.a<br>[ 99%] Built target int-static<br>make[2]: *** [CMakeFiles/libint_f.dir/build.make:117: CMakeFiles/libint_f.dir/depend] Killed<br>make[1]: *** [CMakeFiles/Makefile2:156: CMakeFiles/libint_f.dir/all] Error 2<br>make: *** [Makefile:136: all] Error 2<br>slurmstepd: error: Detected 1 oom-kill event(s) in StepId=1673835.batch. Some of your processes may have been killed by the cgroup out-of-memory handler.<br></div><div><br></div><div><br></div><div>I have applied a maximum memory 180G. But it's still big enough. I check the memory usage:</div><div>JobID             State ExitCode DerivedExitCode     ReqMem     MaxRSS    Elapsed  Timelimit <br>------------ ---------- -------- --------------- ---------- ---------- ---------- ---------- <br>1673835      OUT_OF_ME+    0:125             0:0    191904M              01:40:42 1-00:00:00 <br>1673835.bat+ OUT_OF_ME+    0:125                            181350916K   01:40:42    </div><div><br></div><div><br></div><div>I would appreciate it very much if any help can be offered. </div><div><br></div><div>Best,</div><div>Yao-Wen</div><div><br></div><div><br></div></div>

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