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Revision as of 22:37, 3 February 2022 (view source) Svassili (talk \| contribs) (→‎Job submission examples) ← Older edit		Revision as of 13:13, 4 February 2022 (view source) Svassili (talk \| contribs) (→‎Performance) Newer edit →
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	==Performance==		==Performance==
	~~Benchmarks~~ of simulations with PMEMD ~~on Compute Canada systems are available~~ [http://localhost:8000/mdbench/bform/?software_contains=PMEMD&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=6n4o ~~here~~]. ~~View~~ benchmarks of QM/MM simulations with SANDER.QUICK [http://localhost:8000/mdbench/bform/?software_contains=&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=4cg1 ~~here~~].		For a quick estimate of the time and resources required for a simulation, visit our new Molecular Dynamics Performance Guide[https://mdbench.ace-net.ca]. Direct link to benchmarks of simulations with PMEMD[http://localhost:8000/mdbench/bform/?software_contains=PMEMD&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=6n4o]. Direct link to benchmarks of QM/MM simulations with SANDER.QUICK [http://localhost:8000/mdbench/bform/?software_contains=&software_id=&module_contains=&module_version=&site_contains=&gpu_model=&cpu_model=&arch=&dataset=4cg1].