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For a related discussion see https://github.com/electronic-structure/SIRIUS/issues/621
Over the past few weeks we've been adding conda packages for spla, spfft and sirius and I'm now in the process…
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There's possibly a bug in the MPI communication which appears when running on one process. Collecting hints in this issue
In `test_004` of `f-exx-opt` we notice a difference in the order of 1e-5 in…
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LU Factorisation:
https://www.gsp.com/cgi-bin/man.cgi?section=l&topic=PDGETRF
LU Inverse:
http://www.gsp.com/cgi-bin/man.cgi?section=l&topic=pdgetri
Line 10 in source (Cholesky factorisation):
…
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Since #3184 the [QS/regtest-almo-2/ion-pair.inp](https://github.com/cp2k/cp2k/blob/master/tests/QS/regtest-almo-2/ion-pair.inp) has been segfaulting:
```
==130454== Invalid write of size 8
==130…
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Hello thank you for this library :)
I'm trying to generate a distributed HSS matrix using the following code but run into a segfault:
Code:
``` c++
#include
#include
#include "dense/Dist…
v0dro updated
3 years ago
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BLAS and LAPACK providers should have a mechanism for allowing their consumers to properly set the CMake `BLA_STATIC` and `BLA_VENDOR` configuration options. This is similar in essence to the already-…
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From the latest run of the CI on the stable release of octopus we see:
https://github.com/fangohr/octopus-in-docker/actions/runs/7268660840/job/19804911757
```
#24 0.511
#24 0.511
#24 0.51…
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This is a weird behavior that happens when compiling svFSI on clusters. While CMake finds MPI_C and MPI_CXX correctly, MPI_Fortran and thereby, MPI are very sensitive to module environment. Likewise, …