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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…
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### 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:
…
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'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…
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config.log has only this general information without any particular error messages:
```
configure:46622: checking how Kokkos core libraries parameters have been set
configure:46624: result: yon
co…
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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 …
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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…
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Hello,
I am using the software MAKER, and there are no error messages; everything seems to be running normally. However, in the file `repeatmasker_masker_master_datastore_index.log`, it shows "FAIL…
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````
wget "http://http.debian.net/debian/pool/main/a/abinit/abinit_8.0.8.orig.tar.gz"
tar -zxvf abinit_8.0.8.orig.tar.gz
./tools/test-roundtrip.sh ./src/flif ./abinit-8.0.8/doc/tutorial/theory_mbt/…
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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
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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…