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yueyericardo / cuaev-fastmath-intrinsic-benchmark.md
Last active March 9, 2023 17:29
@yueyericardo
yueyericardo / lammps-ani-benchmark-cuda-aware.md
Last active March 6, 2023 15:48

300k atoms 8 GPUs

gpu/ware off

Loop time of 30.3401 on 8 procs for 2000 steps with 300003 atoms

Performance: 2.848 ns/day, 8.428 hours/ns, 65.919 timesteps/s
77.5% CPU use with 8 MPI tasks x 1 OpenMP threads
@yueyericardo
yueyericardo / linear_erf_profile.log
Last active August 16, 2023 16:08
====================================================================== erf ======================================================================
/opt/conda/lib/python3.8/site-packages/torch/profiler/profiler.py:395: UserWarning: use_cuda is deprecated, use activities argument instead
warn("use_cuda is deprecated, use activities argument instead")
------------------------------------------------------- ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------
Name Self CPU % Self CPU CPU total % CPU total CPU time avg Self CUDA Self CUDA % CUDA total CUDA time avg # of Calls
------------------------------------------------------- ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------
void at::native::vectorized_elementwise_kernel<4, at... 0.00% 0.000us
@yueyericardo
yueyericardo / benchmark_autograd_trim_edges.py
Last active August 2, 2022 17:58
import time
import argparse
from functorch import vmap, jacrev, jacfwd
import torch
import torch.nn as nn
torch.backends.cuda.matmul.allow_tf32 = False
_ = torch.manual_seed(0)
@yueyericardo
yueyericardo / markdown_footnote.md
Created February 21, 2022 01:10
Compiler Toolset Versions Currently Tested
XCode 13.2.1 & 12.5.1
GCC 111 & 10[^2]
Clang 12[^2] & 11[^2]
Visual Studio with MSVC VS2022[^3] & VS2019[^4]
Visual Studio with LLVM VS2022[^3] & VS2019[^4]

Footnotes

  1. Precise version may be found in the latest CI results. ↩

@yueyericardo
yueyericardo / grading.py
Created February 17, 2022 03:36
#!/usr/bin/env python
total = 10
def info(text):
print('\033[32m{}\33[0m'.format(text)) # green
def cal(points):
eq = points.replace(' ', ' + ')
eq = f'{total} - ({eq})'
@yueyericardo
yueyericardo / make_waterbox.py
Created February 9, 2022 20:29
from openmm.app import *
from openmm import *
from openmm.unit import *
from simtk import openmm, unit
from openmmtools import testsystems
water_box = testsystems.WaterBox(box_edge=20.0*unit.nanometer)
positions = water_box.positions
atoms = list(water_box.topology.atoms())
elements = [a.element.symbol for a in atoms]
@yueyericardo
yueyericardo / df_dataset_example.py
Created June 11, 2021 01:19
from torchani.datasets import AniH5Dataset
import os
import cudf
try:
path = os.path.dirname(os.path.realpath(__file__))
except NameError:
path = os.getcwd()
h5file = os.path.join(path, '../dataset/ani-1x/sample.h5')
@yueyericardo
yueyericardo / shortcuts.md
Created September 10, 2020 19:14

快捷键

Spark

  • Cmd + M: Mark as Read/Unread
  • Cmd + Shift + P: Pin

Magnet

  • U I J K: 四分之一
  • D F G: 三分之一
  • E T: 三分之二
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yueyericardo / jupyter_notebook_config.py
Created July 9, 2020 04:18
jupyter config
# Configuration file for jupyter-notebook.
#------------------------------------------------------------------------------
# Application(SingletonConfigurable) configuration
#------------------------------------------------------------------------------
## This is an application.
## The date format used by logging formatters for %(asctime)s
#c.Application.log_datefmt = '%Y-%m-%d %H:%M:%S'