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### Details
Dear Developers
I am trying to install ABACUS 3.0.0 by using the intel mpi compilers. I tested both 2018 and 2020 with the GCC10.3 support.
The installation fails in the linking step:
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## Question
@trilinos/\
When I am trying to compile Trilinos 13.0.1 I get a couple of undefined references at linking `Xpetra_MatrixMatrix_UnitTests.exe`
```
CMakeFiles/Xpetra_MatrixMatrix_UnitT…
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### Details
Hi,
I'm having trouble building abacus. It seems like it's a problem from intel-mkl. Can someone help me?
Thank you very much.
Dependencies spec:
- GCC@9.5.0
- intel-mkl@2020.4.3…
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I have installed cp2k v9.1 recently using the toolchain method, with openmpi v4.1 and without sirius. Previously, I have also tried to use `--with-openmpi=install`, but my local openmpi is of v2.1, wh…
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**Description**
Under certain conditions the new *LARTG implementations can essentially increase the 2-norm of initial vector. It can lead to significant loss of accuracy of singular vectors or eige…
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### Steps to reproduce
```
% spack install py-seaborn
[+] /opt/spack/opt/spack/linux-ubuntu20.04-zen2/gcc-10.3.0/py-seaborn-0.11.2-tsnevnnxuoyqliywmfjbtwmmvjizlbjj
% spack compiler find
==> Fou…
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DFTB+ is stuck in interruptible sleep (S) state. Unlikely to be a bug with the code and more likely a misconfiguration with our workstation, but I don't have the expertise to say for sure, feel free t…
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### Summary
Note that I succeed in compiling ABACUS with DeePMD-kit C++ interface through **Makefiles**, and the results are the same as those of Lammps.
However, when I try to compile ABACUS wi…
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Hello
I tried to compile CP2K 2022.2 with script ./install_cp2k_toolchain.sh and make -j 12 ARCH=local VERSION="ssmp sdbg psmp pdbg" after a few minutes of compilation I got the following error
Pl…
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I'm trying the following:
`cmake .. -DBUILD_SHARED_LIBS=ON -DCMAKE_CXX_COMPILER=$MPICXX -DCMAKE_C_COMPILER=$MPICC -DCMAKE_Fortran_COMPILER=$MPIF90 -DCMAKE_BUILD_TYPE=Release -DCMAKE_VERBOSE_MAKEFILE:…