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Something wrong when installing ABACUS. #255

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tangerious opened this issue Feb 24, 2023 · 1 comment
Closed

Something wrong when installing ABACUS. #255

tangerious opened this issue Feb 24, 2023 · 1 comment

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@tangerious
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We encountered the following issue when installing ABACUS according to the online documentation:

  • sudo apt update && sudo apt install -y libopenblas-openmp-dev liblapack-dev libscalapack-mpi-dev libelpa-dev libfftw3-dev libcereal-dev libxc-dev g++ make cmake bc git.
    We used yum instead of apt because our system is Centos, The following message appeared , I am not sure if this will affect the installation later.1
  • Then we used wget l_BaseKit_p_2021.4.0.3422_offline.sh, sudo bash l_BaseKit_p_2021.4.0.3422_offline.sh, wget l_HPCKit_p_2021.4.0.3347_offline.sh, sudo bash l_HPCKit_p_2021.4.0.3347_offline.sh to install the whole Toolkit. For gcc compiler, we used the configure command :../configure CFLAGS="-O3 -march=native -funsafe-loop-optimizations -funsafe-math-optimizations -ftree-vect-loop-version -ftree-vectorize" \ FCFLAGS="-O2 -mavx" --disable-avx512 . The following message appeared:2
  • Finally we used Intel oneAPI: CC=mpiicc CXX=mpiicpc FC=mpiifort ../configure FCFLAGS="-mkl=cluster", and we got:3

then we make it, but we got another error again:
4
We have no idea about this, and came here to ask for everyone's advice.

@dyzheng
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dyzheng commented Mar 13, 2023

I have transferred this issue to deepmodeling#2061 .

@dyzheng dyzheng closed this as completed Mar 13, 2023
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