{"action":"closed","issue":{"url":"https://api.github.com/repos/Amber-MD/pytraj/issues/518","labels_url":"https://api.github.com/repos/Amber-MD/pytraj/issues/518/labels{/name}","comments_url":"https://api.github.com/repos/Amber-MD/pytraj/issues/518/comments","events_url":"https://api.github.com/repos/Amber-MD/pytraj/issues/518/events","html_url":"https://github.com/Amber-MD/pytraj/issues/518","id":93901761,"number":518,"title":"info: TrajectoryIterator and memory","user":{"login":"hainm","id":4451957,"avatar_url":"https://avatars.githubusercontent.com/u/4451957?v=3","gravatar_id":"","url":"https://api.github.com/users/hainm","html_url":"https://github.com/hainm","followers_url":"https://api.github.com/users/hainm/followers","following_url":"https://api.github.com/users/hainm/following{/other_user}","gists_url":"https://api.github.com/users/hainm/gists{/gist_id}","starred_url":"https://api.github.com/users/hainm/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/hainm/subscriptions","organizations_url":"https://api.github.com/users/hainm/orgs","repos_url":"https://api.github.com/users/hainm/repos","events_url":"https://api.github.com/users/hainm/events{/privacy}","received_events_url":"https://api.github.com/users/hainm/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":2,"created_at":"2015-07-08T22:10:15Z","updated_at":"2015-09-09T20:55:20Z","closed_at":"2015-09-09T20:55:20Z","body":"super memory saving with 'TrajectoryIterator` (and out-of-core calculation)\r\n\r\n* user is able to load as many trajectory files to `TrajectoryIterator`\r\n```python\r\nIn [12]: len(traj.filelist)\r\nOut[12]: 28432\r\n```\r\n\r\n* estimated memory (MB) if loading all of them into RAM\r\n\r\n(> 36 GB of data).\r\n\r\n```python\r\nIn [15]: traj._estimated_MB\r\nOut[15]: 36119.00856\r\n```\r\n\r\nThe **real** memory\r\n```python\r\nIn [16]: traj\r\nOut[16]:\r\n<pytraj.TrajectoryIterator with 284330 frames: <Topology with 5293 atoms, 1704 residues, \r\n1692 mols, 5300 bonds, PBC with box type = ortho>>\r\n\r\nIn [16] used 0.0117 MiB RAM in 0.11s, peaked 0.00 MiB above current, total RAM usage \r\n271.99 MiB\r\n```"}}