{"id":37633258,"url":"https://github.com/fernandezfran/tiny_md","last_synced_at":"2026-01-16T11:00:30.085Z","repository":{"id":167730534,"uuid":"320294263","full_name":"fernandezfran/tiny_md","owner":"fernandezfran","description":"tiny molecular dynamics (Trabajo final de Computación Paralela, curso de posgrado de FaMAF)","archived":false,"fork":false,"pushed_at":"2021-10-19T14:29:23.000Z","size":3820,"stargazers_count":1,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-10-25T11:24:05.341Z","etag":null,"topics":["computational-physics","hpc","molecular-dynamics","parallel-computing"],"latest_commit_sha":null,"homepage":"https://cs.famaf.unc.edu.ar/~nicolasw/Docencia/CP/2020/index.html","language":"C","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/fernandezfran.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2020-12-10T14:18:53.000Z","updated_at":"2021-10-19T14:29:27.000Z","dependencies_parsed_at":null,"dependency_job_id":"ccb255f0-515c-41e6-b453-560f3a11bca4","html_url":"https://github.com/fernandezfran/tiny_md","commit_stats":null,"previous_names":["fernandezfran/tiny_md"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/fernandezfran/tiny_md","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/fernandezfran%2Ftiny_md","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/fernandezfran%2Ftiny_md/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/fernandezfran%2Ftiny_md/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/fernandezfran%2Ftiny_md/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/fernandezfran","download_url":"https://codeload.github.com/fernandezfran/tiny_md/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/fernandezfran%2Ftiny_md/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":28478106,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-01-16T06:30:42.265Z","status":"ssl_error","status_checked_at":"2026-01-16T06:30:16.248Z","response_time":107,"last_error":"SSL_read: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["computational-physics","hpc","molecular-dynamics","parallel-computing"],"created_at":"2026-01-16T11:00:18.253Z","updated_at":"2026-01-16T11:00:30.067Z","avatar_url":"https://github.com/fernandezfran.png","language":"C","funding_links":[],"categories":[],"sub_categories":[],"readme":"# tiny_md\n\n\u003e _tiny molecular dynamics_\n\u003e\n\u003e trabajo final de computación paralela 2020 (curso de posgrado - FaMAF, UNC) \n\nProyecto de speed-up de un código de Dinámica Molecular con un potencial interatómico de Lennard-Jones. Inicialmente se dan las posiciones en un cristal FCC y velocidades aleatorias distribuidas uniformemente según la temperatura inicial. Las fuerzas se obtienen de un potencial de LJ (12-6) y la evolución temporal viene dada por el algoritmo Velocity Verlet. Se consideran condiciones periódicas de contorno para reproducir un sistema infinito. La temperatura es controlada a través de un reescaleo en las velocidades. Cada cierta cantidad de pasos de dinámica molecular se cambia la densidad del sistema y se reescalean las posiciones para obtener la ecuación de estado.\n\nEn el directorio `proyecto/` se encuentra el desarrollo del trabajo, para más información se puede ver `doc/informe.pdf`. \n\nEn `proyecto/proyecto0_cp2021/` está cómo mandé el proyecto inicial para la edición 2021 de Computación paralela.\n\n\n### Requisitos\n\nPara compilar es necesario tener instalado `gcc`, `OpenMP` y `OpenGL`.\n\n\n### Compilación\n\nPara correr la versión final del trabajo es necesario compilar utilizando `Makefile` en el directorio `src/`:\n```bash\ncd src/\nmake clean\nmake\n```\ndonde `make clean` elimina los objetos compilados anteriormente y `make` compila dos ejecutables: `tiny_md` y `viz`, ambos ejecutables realizan la misma simulación pero el segundo posee una visualización en tiempo real.\n\n\u003e Nota:\n\u003e\n\u003e _Si se desean cambiar parámetros de entrada de la simulación, puede modificarse el archivo _`src/in.parameters`_ y recompilar o pasar los valores deseados como argumento a _`make`_; por ejemplo, _`make N=1372`_ cambia la cantidad de partículas que se simulan._\n\n\n### Ejecución\n\nPrevio a la ejecución de `tiny_md` o `viz` puede configurarse OpenMP usando, por ejemplo, `OMP_PROC_BIND=true` y `OMP_NUM_THREADS=$i`, donde `$i` es la cantidad de hilos en los que se quiere correr.\n\n\n### Contacto\n\nPor errores, preguntas o sugerencias contactarse con:\n\n+ Francisco Fernandez (\u003cfernandezfrancisco2195@gmail.com\u003e)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ffernandezfran%2Ftiny_md","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Ffernandezfran%2Ftiny_md","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Ffernandezfran%2Ftiny_md/lists"}