Use case application of SU2 soft package. C++ library NXV4

1.

a0 baseline
Use case application of SU2 soft package
Advanced Computing
C++ library NXV4
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

2.

Contents
Damped Oscillatory Motion in AFM
C++ packages SU2 / CPX
Elongation x determination
Appl 1 – Pulse and Step
Appl 2 – Harmonic Drive
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

3.

Contents
Damped Oscillatory Motion in AFM
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

4.

Damped Oscillatory Motion in AFM
AFM modes
- contact
- non-contact
- tapping
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

5.

Modelling software
-
implement mathematical fields / vec’s
necessary
-
in polymorphic form
-
F77-like for the user
-
independent of other frameworks
-
CPU acceleration
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

6.

Contents
C++ packages SU2 / CPX
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

7.

C++ packages SU2 / CPX
All polymorphic, ca. 1220 (CPX) op-instantiations, 2470 (CHI), 5680 (SU2)
cpx<int> + su2<double> = su2<cpx<double>>
CPX
- complex numbers
- all algebraic op’s, exp, log, sqrt, a^b, ~z
- fabs, phi, phi2, > , >=, ==, =!, etc
CHI
- SU(2) vectors
- all algebraic op’s , ~v, (psi|phi), Z = a^b , fabs, > , ==, =!, etc
SU2
- SU(2) operators
- all algebraic op’s, exp, log, sqrt, ~Z
- fabs, A|phi, (psi|A|phi), > , >=, ==, =!, etc
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

8.

Contents
Elongation x determination
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

9.

Elongation x determination
Newton
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

10.

Elongation x determination
First order diferential ecuation – find ψ
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

11.

Elongation x determination
Note:
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

12.

Contents
Appl 1 – Pulse and Step
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

13.

Appl 1 – Pulse and Step
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

14.

Appl 1 – Pulse and Step
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

15.

Appl 1 – Pulse and Step
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

16.

Appl 1 – Pulse and Step
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

17.

Contents
Appl 2 – Harmonic Drive
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

18.

Appl 2 – Harmonic Drive
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

19.

Appl 2 – Harmonic Drive
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
JINR - FLNP

20.

Conclusions
NXV4 library
-
F77-like for the user
-
independent of other frameworks
-
CPU acceleration
Polymorphic C++
- quasi-polymorphism: extensive, multi-1000’s operators
tedious, but very rewarding
- cpx, chi, su2: good CPU performance
Dima Maria
JINR - FLNP
Dima Mihai-Tiberiu
Спасибо !
JINR - FLNP