Intersect360 Research surveyed the High Performance Computing (HPC) user community on their software usage for HPC. The complete study analyzes users’ current operating systems, middleware, developer tools, and primary applications across 11 different application domains, including:
Our goal in this analysis is to provide an in-depth analysis of HPC software trends. Intersect360 Research surveyed members of the HPC user community worldwide across industry, government, and academia. The survey was conducted in the fourth quarter of 2021 and received responses from 238 qualified sites, yielding tens of thousands of data points for analysis with respect to HPC software.
Intersect360 Research defines HPC as the use of servers, clusters, and supercomputers—plus associated software, tools, components, storage, and services—for scientific, engineering, or analytical tasks that are particularly intensive in computation, memory usage, or data management. Intersect360 Research reports available in this HPC Technology Survey report series include the following segmentations:
This report provides a detailed examination of primary application software in chemistry. There were 104 users of chemistry applications in the survey, yielding 675 application mentions, for 6.5 application mentions per respondent, making it one of the most diverse areas recorded in this survey. Multiple application usage is common, with a wide range of different applications in use. The tenth-most common application (CHARMM) is still used by over one-third of those doing chemistry in the HPC sector. Intersect360 Research clients should carefully heed the data and insights in this report in planning their future developments for all HPC technologies and services.
TABLE OF CONTENTS
EXECUTIVE SUMMARY 2
TABLE OF CONTENTS 4
What Is HPC? 8
PRIMARY APPLICATION SOFTWARE: CHEMISTRY 9
Overview: Primary Applications 9
Figure 1: Percent of Respondents Reporting Primary Applications in Each Domain 9
Figure 2: Proportion of Commercial, In-House, and Open-Source Software by Sector 10
Figure 3: Proportion of Commercial, In-House, and Open-Source Software Across Survey Population, 2010 vs. Today 11
Primary Applications: Chemistry 12
Table 1: Primary Applications: Chemistry 12
Job Scalability: Chemistry 13
Figure 4: Typical and Maximum Job Sizes: Chemistry 13
Table 2: Typical Job Scalability by Application 14
Table 3: Maximum Job Scalability by Application 14
Cloud Affinity: Chemistry 15
Figure 5: Cloud Affinity: Chemistry 15
Table 4: Cloud Affinity by Application 16
Processing Architecture Affinity: Chemistry 16
Figure 6: Processor Architecture Affinity: Chemistry 17
APPENDIX A: SURVEY DEMOGRAPHICS 19
Figure A1: Economic Sector of Respondent Organization 19
Figure A2: Number of Employees for Respondent Site and Organization 19
Figure A3: Annual HPC Budget for Respondent Site and Organization 20
Figure A4: Role of Survey Respondent in Organization 20
Figure A5: HPC Software Purchasing Responsibility of Respondent 21
APPENDIX B: CHEMISTRY: SELECTED QUALITATIVE COMMENTS 22
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