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

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|location=Uppsala
 
|location=Uppsala
 
|start date=2015-01-15
 
|start date=2015-01-15
|end date=2014-01-15
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|end date=2015-01-15
 
}}
 
}}
  
 
== Seminar overview ==
 
== Seminar overview ==
Tentative schedule
+
{| class="wikitable"
13.15-14.00 General performance aspects of DFT codes
+
|+ Tentative schedule
14.15-15.00 Influential VASP settings
+
|-
15.00-15.30 Coffee break
+
|13.15-14.00
15.30-16.30 VASP in parallel - special focus on PDC's new Cray system
+
|General performance aspects of DFT codes
16.30-17.00 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:  
 +
 
 +
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 2: NPAR/NCORE etc

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

Seminar overview

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

Trainer

The seminar is given by Peter Larsson from NSC

Venue

Lecture room Å80101 at the Ångström Laboratory