-
While trying to build abinit for #46785, I saw these issues (I could not do a build without fixing them):
```console
bin/spack install abinit
```
Error message:
```
==> Installing abinit-10.0.…
-
Hi!
I'm trying to run `cryodrgn abinit_het` on 200K particles downsampled to 128, but the process quickly terminates with an error: `torch.cuda.OutOfMemoryError: CUDA out of memory. Tried to alloca…
-
'abinit --version' fails:
```
$ abinit --version
UNKNOWN
```
[Build instructions](https://docs.abinit.org/tutorial/abinit_build/) don't say anything about how to set version.
configure and bui…
-
### Steps to reproduce the issue
```console
$ spack spec -I abinit@9.8.4%gcc@13.2.0 +mpi
...
```
### Error message
Error message
==> Error: ProcessError: Command exited with status 2:
…
-
Out of the different codes available on the quantum mobile, I believe abinit is currently the only code requiring the mpich MPI library instead of openmpi (on conda-forge).
I remember @jan-janssen …
-
abinit is incapable of building or running unit tests on an Ubuntu 24.04 Alpha system with Python 3.12 installed.
Steps to reproduce:
1. Install abinit's dependencies on a system.
2. Ensure Pyt…
-
fkiss isn't found on PYPI, see [here](https://pypi.org/search/?q=fkiss).
-
A user has `abinit` uploads with the error message
```
in input_vars self._input_vars[key][int(n_dataset) - 1] = val IndexError: list assignment index out of range"
```
in https://nomad-lab.eu…
-
The application of stricter type tests is raising `pytest` errors in the following parsers (corrected):
- Yambo (GW)
- abinit (GW)
- FHI-aims (GW)
- Gaussian (is being patched)
- TBStudio
@l…
-
LibXC support in the 8.2.2 ABINIT easyconfigs is broken.
First, there is a typo in the configure parameter:
`configopts = "--with-mpi-prefix=$EBROOTIMPI/intel64 --with-trio-flavor='etsf_io+netcdf'…
mstud updated
4 years ago