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### Steps to reproduce the issue
```console
$ spack spec -I cp2k@2023.1+elpa %aocc ^amdfftw ^amdscalapack ^amdblis ^amdlibflame ^elpa+openmp ^openmpi@5.0.2 fabrics=auto
Input spec
--------------…
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I recently installed Underworld in a Linux Conda environment. It appears to have installed version 2.10.0, rather than the latest 2.13 - not necessarily a problem, since many of my existing models ar…
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> library(SeuratExtend)
Loading required package: SeuratExtendData
Loading required package: SeuratObject
Loading required package: sp
‘SeuratObject’ was built with package ‘Matrix’ 1.6.5 but the …
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This is a test case of a larger 20 atom unit cell with slight disproportionation (low symmetry) and magnetism.
The difference in performance is quite dramatic, QE runs in about 5-10s per scf step, …
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Bonjour,
Je souhaite compiler TELEMAC avec PAGURE sur un cluster pour utiliser la version v8p5. Pour cela j'ai récupéré la dernière version de pagure.
1) Je charge les modules suivants : use.o…
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### Details
Dear developers and users,
I faced some problems when compiling elpa with toolchain on a cluster.
The error information is as bellow:
make[1]: *** [src/elpa2/kernels/libelpa_openmp…
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Hi,
I am trying to build GA as part of OpenMolcas on a Linux cluster and would like to use the Intel MKL (ilp64) libraries as BLAS/LAPACK librarires.
But the build always failes with
```
-- …
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Hi, I am trying to install DFTB+ with mpich via `conda` on the Ubuntu 22.04 OS.
Here are my commands. I first create an new environment, named ‘’science‘’
```python
conda create -n scienv python=…
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When running `make test` in the PETSc examples directory (`examples/petsc`), the examples `ex5p` and `ex11p` (`ex11p` is only run when SLEPc support is enabled) fail randomly. In order to see the issu…