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My compilation command:
cmake -DDLAF_DIR=./DLA-Future-install -DDLAF_WITH_MKL=ON -DMKL_ROOT=/public/software/compiler/intel-compiler/2021.3.0/mkl -Dlapackpp_DIR=/public/software/OpenBLAS-0.3.21/ins…
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$ mpirun -np 3 benchmark/frank_matrix scalapack_pdsyevx 1000
として実行すると(VPS上で、3CPUのマシンです)、次のエラーで落ちました。
eigen_s, eigen_sx, scalapack, scalapack_pdsyevdは問題ないです。
Debianのscalapack(1.8.0), OpenMP(1.4.5), …
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GPAW is a density-functional theory (DFT) [Python](https://www.python.org/) code based on the projector-augmented wave ([PAW](https://wiki.fysik.dtu.dk/gpaw/documentation/introduction_to_paw.html#intr…
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### Steps to reproduce the issue
On Spock:
Installing netlib-scalapack as a dependency of slate, installed like:
spack install slate+rocm amdgpu_target=gfx908 ~cuda
Fails like:
27 -- Cou…
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when linking scalapack library the compilation fails:
```
/usr/bin/ld: libcp.a(ortho_base.o): in function `__orthogonalize_base_MOD_diagonalize_parallel_cmplx':
/home/nicola/CODES/koopmans/quantum…
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The scalapack library does not currently build under windows. Build out and err files are below. It seems that the Fortran and C parts build but the "..\..\Debug\scalapack-2.8d.lib" file is not create…
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Summary: I found an erroneous output when calling `pdlapv2` with the following reproducible example. With inspection of the source code `pdlapv2.f` I think it's an algorithm error. (Or I misunderstood…
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### Describe the bug
When calculating the vacancy energy of 256 (actually 255) iron atoms by using 64 cpus and 2 processors with ABACUS(v3.7.3) , there is a Segmentation fault.
And I tried 28 cpu…
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Configuring cmake for cp2k with option "DEFAULT", an error occurred as
"COSMA needs to be build with scalapack offloading support. COSTA_SCALAPACK and COSMA_SCALAPACK should probably be set properly"…
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@davydden
See #4341; I'm still getting scalapack error installing petsc 3.4.4. (I know 3.4.4 is ancient; but it's what I need to install at this point).
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