Title:
METHOD AND APPARATUS FOR INSTALLING MOLECULAR DYNAMICS SOFTWARE, AND DEVICE AND READABLE MEDIUM
Document Type and Number:
WIPO Patent Application WO/2022/062647
Kind Code:
A1
Abstract:
Disclosed are a method for installing molecular dynamics software, the method comprising the following steps: detecting a supercomputing cluster hardware architecture and recording hardware information, and detecting a computing cluster software environment and recording software information; acquiring user requirement information, determining, according to the requirement information, whether an MPI parallel mode is relied on and whether a third-party mathematical library is needed, and selecting molecular dynamics software according to the determination result; and installing the selected molecular dynamics software on the basis of the hardware information and the software information. Further disclosed are an apparatus for installing molecular dynamics software, and a computer device and a readable storage medium. The present invention helps a user to overcome professional barriers of computer hardware and software, and the installation and compilation of molecular dynamics software are simplified, the deployment time of the software in a cluster is saved to the greatest extent, and the working efficiency of implementation personnel is improved.
Inventors:
WANG QIAN (CN)
LIU YU (CN)
LIU YU (CN)
Application Number:
PCT/CN2021/109502
Publication Date:
March 31, 2022
Filing Date:
July 30, 2021
Export Citation:
Assignee:
SUZHOU INSPUR INTELLIGENT TECH CO LTD (CN)
International Classes:
G06F8/61
Foreign References:
| CN112015440A | 2020-12-01 | |||
| CN111857746A | 2020-10-30 | |||
| CN103309715A | 2013-09-18 | |||
| CN109460827A | 2019-03-12 | |||
| CN103309714A | 2013-09-18 | |||
| US20070283320A1 | 2007-12-06 |
Attorney, Agent or Firm:
LIAN & LIEN IP ATTORNEYS (CN)
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