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tkphd / Problem7-sympy.py
Last active January 11, 2018 18:23
SymPy script for PFHub Problem 7
#!/usr/bin/python
# -*- coding: utf-8 -*-
## Sympy code to generate expressions for PFHub Problem 7 (MMS)
from sympy import Symbol, symbols, simplify
from sympy import Eq, sin, cos, cosh, sinh, tanh, sqrt
from sympy.physics.vector import divergence, gradient, ReferenceFrame, time_derivative
from sympy.printing import ccode, pprint
from sympy.abc import kappa, S, t
@tkphd
tkphd / hiperc-cuda-spinodal.csv
Created December 18, 2017 22:05
HiPerC spinodal CUDA results
time free_energy
0 326.432
1000 72.723657
2000 59.844391
3000 52.347518
4000 49.113197
5000.000001 45.705408
6000.000001 44.129659
7000.000001 41.328397
8000.000001 40.494658
@tkphd
tkphd / .gitignore
Last active October 3, 2017 14:29
Beamer advert for CHiMaD Phase Field community
*.aux
*.log
*.nav
*.out
*.pdf
*.snm
*.toc
@tkphd
tkphd / sandbox.md
Last active May 30, 2018 18:23
markdown sandbox

Test 2: Shuffled Sum

Ideally, the sequence

    1  	     1      1
10× /   + 9× / + 9× / + 9×1 + 9×10 + 9×100 + 9×1000 = 10000.
   1000     100     10

However, due to the same floating point representation problem, variations arise

Similarly, the sequence

@tkphd
tkphd / sandbox.rst
Last active January 5, 2018 22:05
reStructuredText Sandbox

Overview

latex

FiPy is an object oriented, partial differential equation (PDE) solver, written in Python, based on a standard finite volume (FV) approach. The framework has been developed in the Materials Science and Engineering Division (MSED) and Center for Theoretical and

@tkphd
tkphd / energy_6a_dx10.csv
Created August 1, 2017 20:04
CHiMaD Phase-Field Workshop V, problem 6 (electrochemistry)
time free_energy
0 76.4421
0.05 179.5
0.1 179.467
0.15 179.436
0.2 179.401
0.25 179.369
0.3 179.333
0.35 179.3
0.4 179.264
@tkphd
tkphd / Du_Cr-Nb-Ni_simple.tdb
Created March 29, 2017 15:00
$ Database file written 1900- 1-**
$ From database: USER
ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT CR BCC_A2 5.1996E+01 4.0500E+03 2.3560E+01!
ELEMENT NB BCC_A2 9.2906E+01 5.2200E+03 3.6270E+01!
ELEMENT NI FCC_A1 5.8690E+01 4.7870E+03 2.9796E+01!
FUNCTION GLIQCR 298.15 +24339.955-11.420225*T+2.37615E-21*T**7+GHSERCR#;
@tkphd
tkphd / CTCMS_sbatch.sh
Created March 16, 2017 19:01
#!/bin/bash
#SBATCH --partition rack6i # -p, partition
#SBATCH --time 12:00:00 # -t, time (hh:mm:ss or dd-hh:mm:ss)
#SBATCH --nodes=2 # total number of machines
#SBATCH --ntasks=4 # 2 sockets per rack6i machine
#SBATCH --cpus-per-task=28 # 28 OMP threads per rack6i MPI rank
#SBATCH -J Alloy625
#SBATCH -D /data/tnk10/phase-field/alloy625/run2/TKR4p074
export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
@tkphd
tkphd / mmsp_1a_wrksttn.csv
Last active February 15, 2017 16:32
MMSP workstation spinodal decomposition results
time free_energy
0 319.094
106.667 132.607
213.333 114.85
320 105.152
426.667 99.4598
533.333 95.5889
640 92.5611
746.667 89.9498
853.333 87.5588
@tkphd
tkphd / mmsp_1a_raspi_results.csv
Last active February 10, 2017 17:27
MMSP spinodal decomposition benchmark on Raspberry Pi 3 cluster (4 nodes)
time free_energy
0 319.094
41.6667 175.655
83.3333 140.518
125 128.394
166.667 121.085
208.333 115.449
250 110.879
291.667 107.212
333.333 104.281