{"title":"SMP集群环境下协同调度并行电子结构计算","authors":"Nurzhan Ustemirov, M. Sosonkina","doi":"10.1109/CLUSTR.2005.347014","DOIUrl":null,"url":null,"abstract":"The general atomic and molecular electronic structure system (GAMESS) is a program for ab initio molecular quantum chemistry calculations. This work presents a modification to the integration model of network information conveyer and application notification (NICAN) into GAMESS for the concurrent execution of sequential GAMESS jobs. In the work presented here, NICAN acts as an application-level co-scheduler in distributed SMP environments. The primary goal of such a co-scheduler is to increase throughput of parallel GAMESS calculations","PeriodicalId":255312,"journal":{"name":"2005 IEEE International Conference on Cluster Computing","volume":"92 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2005-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Co-Scheduling Parallel Electronic Structure Calculations in SMP Cluster Environments\",\"authors\":\"Nurzhan Ustemirov, M. Sosonkina\",\"doi\":\"10.1109/CLUSTR.2005.347014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The general atomic and molecular electronic structure system (GAMESS) is a program for ab initio molecular quantum chemistry calculations. This work presents a modification to the integration model of network information conveyer and application notification (NICAN) into GAMESS for the concurrent execution of sequential GAMESS jobs. In the work presented here, NICAN acts as an application-level co-scheduler in distributed SMP environments. The primary goal of such a co-scheduler is to increase throughput of parallel GAMESS calculations\",\"PeriodicalId\":255312,\"journal\":{\"name\":\"2005 IEEE International Conference on Cluster Computing\",\"volume\":\"92 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2005-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2005 IEEE International Conference on Cluster Computing\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/CLUSTR.2005.347014\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2005 IEEE International Conference on Cluster Computing","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/CLUSTR.2005.347014","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Co-Scheduling Parallel Electronic Structure Calculations in SMP Cluster Environments
The general atomic and molecular electronic structure system (GAMESS) is a program for ab initio molecular quantum chemistry calculations. This work presents a modification to the integration model of network information conveyer and application notification (NICAN) into GAMESS for the concurrent execution of sequential GAMESS jobs. In the work presented here, NICAN acts as an application-level co-scheduler in distributed SMP environments. The primary goal of such a co-scheduler is to increase throughput of parallel GAMESS calculations
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