Update postw90_common.F90 #120
Merged
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
Currently, Wannier90 spends the useless memory in some parts, especially in the parallel run. For this reason, for considering systems with large number of k points and bands, it might lead to memory error. In addition to this, there are some points in which memory is used uselessly and they are also related to the parallelisation of both core parts (wannierization and disentanglement) and post-processing parts. Although I have my working parallel version of Wannier90, I will make an effort to apply, if any, the difference to the already-committed version. H. Lee
|
A viable way to reduce the memory requirements may be using MPI shared memory windows for storing read-only matrices only once per computation node (not once per process). You may have a look at the example hpc_kernel_samples/parallel_io/read2shmem from the PRACE CodeVault, which explains and demonstrates the usage of MPI shared memory windows. |
|
Thank you very much for the info. |
manxkim
pushed a commit
to manxkim/wannier90
that referenced
this pull request
Jan 10, 2021
Update postw90_common.F90
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Outdated suggestions cannot be applied.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.
Currently, Wannier90 spends the useless memory in some parts, especially in the parallel run.
For this reason, when considering systems with large number of k points and bands, it might lead to memory error.
In addition to this, there are some points in which memory is used uselessly and they are also related to the parallelisation of both core parts (wannierization and disentanglement) and post-processing parts.
Although I have my working parallel version of Wannier90, I will make an effort to apply, if any, the difference to the already-committed version.
H. Lee