From SNIC Documentation
Revision as of 09:48, 23 January 2013 by Jonathan Vincent (PDC)
Desmond is a molecular dynamics package (MD).
|Akka||HPC2N||capability cluster resource of 54 TFLOPS with infiniband interconnect|
|Lindgren||PDC||Cray XE6 capability cluster with 305 TFLOPS peak performance|
Code is available at no cost, but requires the users to register with D.E. Shaw before it can be downloaded.
ExpertsNo experts have currently registered expertise on this specific subject. List of registered field experts:
|Field||AE FTE||General activities|
|Johan Raber (NSC)||NSC||Computational chemistry||5050|
|Michael Stenrup (UPPMAX)||UPPMAX||Computational chemistry||2525|
|Rossen Apostolov (PDC)||PDC||Molecular dynamics||100100|
|Torben Rasmussen (NSC)||NSC||Computational chemistry||100100||Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.