Enable P3M for hybrid decomposition with one MPI node #4678
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
jngrad
force-pushed
the
hybrid_decomp_enable_p3m_single_node
branch
from
98a522b
to
ea7861b
Compare
jngrad
pushed a commit
to jngrad/espresso
that referenced
this pull request
Mar 2, 2023
Description of changes: - removed sanity checks preventing hybrid decomposition from being used with P3M/Dipolar P3M on a single MPI node - added tests to ensure forces/energies of the hybrid decomposition with P3M are equal to those calculated using the regular decomposition
jngrad
pushed a commit
to jngrad/espresso
that referenced
this pull request
Mar 2, 2023
Description of changes: - removed sanity checks preventing hybrid decomposition from being used with P3M/Dipolar P3M on a single MPI node - added tests to ensure forces/energies of the hybrid decomposition with P3M are equal to those calculated using the regular decomposition
jngrad
pushed a commit
to jngrad/espresso
that referenced
this pull request
Mar 2, 2023
Description of changes: - removed sanity checks preventing hybrid decomposition from being used with P3M/Dipolar P3M on a single MPI node - added tests to ensure forces/energies of the hybrid decomposition with P3M are equal to those calculated using the regular decomposition
jngrad
pushed a commit
to jngrad/espresso
that referenced
this pull request
Mar 2, 2023
Description of changes: - removed sanity checks preventing hybrid decomposition from being used with P3M/Dipolar P3M on a single MPI node - added tests to ensure forces/energies of the hybrid decomposition with P3M are equal to those calculated using the regular decomposition
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Description of changes: