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This is from trying to to update the spack package to 2.6.2 and provide NCCL/RCCL support, but it doesn't look as if it's related to spack. Building fails when I enable NCCL, but works without it; I'…
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**Hello,
while trying to compile VASP.6.2.0 using the -DSCPC tag, the following error is generated:**
mpiifort -free -names lowercase -assume byterecl -w -xHOST -O2 -I/opt/intel/compilers_and_libr…
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When I try to compile ABACUS(Github version: 050a2c441a680eb9d418a416671ddd122bee3d6a) with GNU environment,
- cmake-3.16.2
- gcc-7.3.1
- hpcx-2.11.0
- lapack-3.8.0
- scalapack-2.1.0
- fftw-3.…
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### Details
https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/207_NO_KP_OH/INPUT#L28
https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/207_NO_KP…
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Distributed has a lot of overhead. I think we should return to providing also multi-threaded assembly of linear systems
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https://github.com/LLNL/hiop/blob/develop/src/Interface/hiopInterface.hpp#L60
https://github.com/pnnl/ExaGO/actions/runs/6304772661/job/17116842345?pr=15
This is a really weird bug, as even when…
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with modified `arpack-ng` by `depends_on('blas+openmp')` I see
```
$ spack spec arpack-ng
Input spec
------------------------------
arpack-ng
Normalized
------------------------------
arpack-ng
…
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I thought I would give this a full test with Fortran, and CP2K is a good benchmark for that. The build (v8.2) is failing with:
```
/project/60005/easybuild/build/CP2K/8.2/gmtfbf-2021a/cp2k-8.2/exts/…
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### Details
Recently, I perform SOC + EXX calculation. You can check the INPUT and output files in
[hse-3.6vs3.7-lowerspeed.zip](https://github.com/user-attachments/files/17002046/hse-3.6vs3.7-lowe…
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### Solution to issue cannot be found in the documentation.
- [X] I checked the documentation.
### Issue
I am facing an issue with the mesh partitioning with scotch 7. I provide a MWE below
…