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I am trying to install quantum-espresso with MPI
### Steps to reproduce the issue
```console
$ spack install quantum-espresso@6.4.1+mpi %gcc@8.3.0
==> fftw is already installed in /lustre/home…
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I have compiled new toolchain with fortran, as it is needed for compiling static ATLAS,gsl,lapack,OpenMPI, and other tools for electronic structure calculations (JDFTx, Quantum Espresso,...). The thi…
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The quantum-espresso package can not be built with hdf5=serial support since #12765 was merged.
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### Steps to reproduce the issue
```console
$ spack install quantum-espresso%intel hdf5=ser…
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as the title says.
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not only for SCNV but also for the SSSPs
consider adding something for siesta and cp2k as well?
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just do "make epw" and it should work (with the same parameters/env. as for PW).
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From an email to the mailing list by Marten Richter:
Dear Wannier90 list,
for some reasons, I tried to use gw stuff from yambo with wannier and I
also needed spins.
I need to use the spn form…
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## Goal
We would like to provision a VM using a user `regularuser` that may not have sudo privileges.
Whenever superuser privileges are required, ansible should become a superuser (e.g. `admin`).
…
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Symmetrize the dynamical matrix if a given group is given.
It should be possible to use the quantum espresso symmetrization Fortran subroutine, to avoid to write another one.
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During debugging of the ion-ion force bug in the CCZ estimator addressed in PR #2019, @Paul-St-Young found large disagreements between the fixed CCZ estimator+Quantum Espresso forces and the forces ca…