Difference between revisions of "VASP best practices (NSC-UPPMAX January 2015)"

Revision as of 20:18, 27 November 2014

Name	VASP best practices (NSC-UPPMAX January 2015)
Description	Seminar on running VASP efficiently at Triolith and Beskow (the new Cray XC40 at PDC)
Type of event	Seminar
Location	Uppsala
Start date	2015-01-15
End date	2015-01-15

Tentative schedule
13.15-14.00	General performance aspects of DFT codes
14.15-15.00	Influential VASP settings
15.00-15.30	Coffee break
15.30-16.30	VASP in parallel - special focus on PDC's new Cray system
16.30-17.00	Discussions/Q&A

Lecture 1 will cover:

1) parallel efficiency and running economically 2) out of memory 3) typical bottlenecks for DFT codes and what it means when choosing hardware

Lecture 2: NPAR/NCORE etc

Lecture 3: Running big VASP calculations in parallel, some case studies from Beskow

The seminar is given by Peter Larsson from NSC

Lecture room Å80101 at the Ångström Laboratory

@@ Line 5: / Line 5: @@
 |location=Uppsala
 |start date=2015-01-15
-|end date=2014-01-15
+|end date=2015-01-15
 }}
 == Seminar overview ==
-Tentative schedule
+{| class="wikitable"
-.15-14.00  General performance aspects of DFT codes
+|+ Tentative schedule
-.15-15.00  Influential VASP settings
+|-
-.00-15.30  Coffee break
+|13.15-14.00
-.30-16.30  VASP in parallel - special focus on PDC's new Cray system
+|General performance aspects of DFT codes
-.30-17.00  Discussions/Q&A
+|-
+|14.15-15.00
+|Influential VASP settings
+|-
+|15.00-15.30
+|Coffee break
+|-
+|15.30-16.30
+|VASP in parallel - special focus on PDC's new Cray system
+|-
+|16.30-17.00
+|Discussions/Q&A
+|}
-Lecture 1 will cover: 1) parallel efficiency and running economically 2) out of memory 3) typical bottlenecks for DFT codes and what it means when choosing hardware
+Lecture 1 will cover:
+) parallel efficiency and running economically 2) out of memory 3) typical bottlenecks for DFT codes and what it means when choosing hardware
 Lecture 2: NPAR/NCORE etc