我有一个 python 脚本
heavy_lifting.py
,我已使用从 bash 包装器脚本 wrapper.sh
调用的 GNU Parallel 对其进行并行化。我用它来处理 fastq 格式的文件,请参阅下面的example.fastq
。虽然这可行,但要求使用两个解释器和依赖集是不优雅的。我想使用 python 重写 bash 包装器脚本,同时实现相同的并行化。
example.fastq
这是需要处理的输入文件的示例。此输入文件通常很长(~500,000,000)行。
@SRR6750041.1 1/1
CTGGANAAGTGAAATAATATAAATTTTTCCACTATTGAATAAAAGCAACTTAAATTTTCTAAGTCG
+
AAAAA#EEEEEEEEEEEEEEEEEEEEEEEAEEEEEEEEEEEEEEEEEEEEEEEEEA<AAEEEEE<6
@SRR6750041.2 2/1
CTATANTATTCTATATTTATTCTAGATAAAAGCATTCTATATTTAGCATATGTCTAGCAAAAAAAA
+
AAAAA#EE6EEEEEEEEEEEEAAEEAEEEEEEEEEEEE/EAE/EAE/EA/EAEAAAE//EEAEAA6
@SRR6750041.3 3/1
ATCCANAATGATGTGTTGCTCTGGAGGTACAGAGATAACGTCAGCTGGAATAGTTTCCCCTCACAG
+
AAAAA#EE6E6EEEEEE6EEEEAEEEEEEEEEEE//EAEEEEEAAEAEEEAE/EAEEA6/EEA<E/
@SRR6750041.4 4/1
ACACCNAATGCTCTGGCCTCTCAAGCACGTGGATTATGCCAGAGAGGCCAGAGCATTCTTCGTACA
+
/AAAA#EEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEEAE/E/<//AEA/EA//E//
下面是我开始使用的脚本的最小可重现示例。
heavy_lifting.py
#!/usr/bin/env python
import argparse
# Read in arguments
parser = argparse.ArgumentParser()
parser.add_argument('-i', '--inputFastq', required=True, help='forward .fastq')
parser.add_argument('-o', '--outputFastq', required=True, help='output .fastq')
args = parser.parse_args()
# Iterate through input file and append to output file
with open(args.inputFastq, "r") as infile:
with open(args.outputFastq, "a") as outfile:
for line in infile:
outfile.write("modified" + line)
wrapper.sh
#!/bin/bash
NUMCORES="4"
FASTQ_F="./fastq_F.fastq"
# split the input fastq for parallel processing. One split fastq file will be created for each core available.
split --number="l/$NUMCORES" $FASTQ_F split_fastq_F_
# Feed split fastq files to GNU Parallel to invoke parallel executions of `heavy_lifting.py`
ls split_fastq_F* | awk -F "split_fastq_F" '{print $2}' | parallel "python heavy_lifting.py -i split_fastq_F{} -o output.fastq"
#remove intermediate split fastq files
rm split_fastq_*
要执行这些脚本,我使用命令
bash wrapper.sh
。您可以看到结果文件output.fastq
已创建,并且包含修改后的fastq文件。
下面是我尝试使用Python包装器调用并行处理
wrapper.py
。
wrapper.py
#!/usr/bin/env python
import heavy_lifting
from joblib import Parallel, delayed
import multiprocessing
numcores = 4
fastq_F = "fastq_F.fastq"
#Create some logic to split the input fastq file into chunks for parallel processing.
# Get input fastq file dimensions
with open(fastq_F, "r") as infile:
length_fastq = len(infile.readlines())
print(length_fastq)
lines = infile.readlines()
split_size = length_fastq / numcores
print(split_size)
# Iterate through input fastq file writing lines to outfile in bins.
counter = 0
split_counter = 0
split_fastq_list = []
with open(fastq_F, "r") as infile:
for line in infile:
if counter == 0:
filename = str("./split_fastq_F_" + str(split_counter))
split_fastq_list.append(filename)
outfile = open(filename, "a")
counter += 1
elif counter <= split_size:
outfile.write(line.strip())
counter += 1
else:
counter = 0
split_counter += 1
outfile.close()
Parallel(n_jobs=numcores)(delayed(heavy_lifting)(i, "output.fastq") for i in split_fastq_list)
我似乎最困惑的是如何将输入参数正确地输入到 pythonwrapper.py 脚本中的“Parallel”调用中。非常感谢任何帮助!
Parallel
需要函数名称,而不是文件/模块名称
所以在
heavy_lifting
中,你必须将代码放入函数中(使用参数而不是args
)
def my_function(inputFastq, outputFastq):
with open(inputFastq, "r") as infile:
with open(outputFastq, "a") as outfile:
for line in infile:
outfile.write("modified" + line)
然后就可以使用了
Parallel(n_jobs=numcores)(delayed(heavy_lifting.my_function)(i, "output.fastq") for i in split_fastq_list)
这应该是一个评论,因为它没有回答问题,但它太大了。
所有
wrapper.sh
都可以写成:
parallel -a ./fastq_F.fastq --recstart @SRR --block -1 --pipepart --cat "python heavy_lifting.py -i {} -o output.fastq"
如果
heavy_lifting.py
只读取文件而不查找,这也应该可以工作,并且需要更少的磁盘 I/O(临时文件被 fifo 替换):
parallel -a ./fastq_F.fastq --recstart @SRR --block -1 --pipepart --fifo "python heavy_lifting.py -i {} -o output.fastq"
它将自动检测CPU线程的数量,在以@SRR开头的行分割fastq文件,动态地将其分割为每个CPU线程的一个块,并将其提供给python。
如果
heavy_lifting.py
在没有给出 -i
的情况下从标准输入读取,那么这也应该有效:
parallel -a ./fastq_F.fastq --recstart @SRR --block -1 --pipepart "python heavy_lifting.py -o output.fastq"
如果
heavy_lifting.py
未向output.fastq
附加唯一字符串,它将被覆盖。因此,最好让 GNU Parallel 给它一个独特的名称,例如 output2.fastq
:
parallel -a ./fastq_F.fastq --recstart @SRR --block -1 --pipepart "python heavy_lifting.py -o output{#}.fastq"
有关更通用的 FASTQ 并行包装器,请参阅:https://stackoverflow.com/a/41707920/363028
为了重现性,我将 Furas 提供的答案实现到
heavy_lifting.py
和 wrapper.py
脚本中。需要进行额外的编辑才能使代码运行,这就是我提供以下内容的原因。
heavy_lifting.py
#!/usr/bin/env python
import argparse
# Read in arguments
#parser = argparse.ArgumentParser()
#parser.add_argument('-i', '--inputFastq', required=True, help='forward .fastq')
#parser.add_argument('-o', '--outputFastq', required=True, help='output .fastq')
#args = parser.parse_args()
def heavy_lifting_fun(inputFastq, outputFastq):
# Iterate through input file and append to output file
outfile = open(outputFastq, "a")
with open(inputFastq, "r") as infile:
for line in infile:
outfile.write("modified" + line.strip() + "\n")
outfile.close()
if __name__ == '__main__':
heavy_lifting_fun()
wrapper.py
#!/usr/bin/env python
import heavy_lifting
from joblib import Parallel, delayed
import multiprocessing
numcores = 4
fastq_F = "fastq_F.fastq"
#Create some logic to split the input fastq file into chunks for parallel processing.
# Get input fastq file dimensions
with open(fastq_F, "r") as infile:
length_fastq = len(infile.readlines())
print(length_fastq)
lines = infile.readlines()
split_size = length_fastq / numcores
while (split_size % 4 != 0):
split_size += 1
print(split_size)
# Iterate through input fastq file writing lines to outfile in bins.
counter = 0
split_counter = 0
split_fastq_list = []
with open(fastq_F, "r") as infile:
for line in infile:
print(counter)
#if counter == 0 and line[0] != "@":
# continue
if counter == 0:
filename = str("./split_fastq_F_" + str(split_counter))
split_fastq_list.append(filename)
outfile = open(filename, "a")
outfile.write(str(line.strip() + "\n"))
counter += 1
elif counter < split_size:
outfile.write(str(line.strip() + "\n"))
counter += 1
else:
counter = 0
split_counter += 1
outfile.close()
filename = str("./split_fastq_F_" + str(split_counter))
split_fastq_list.append(filename)
outfile = open(filename, "a")
outfile.write(str(line.strip() + "\n"))
counter += 1
outfile.close()
Parallel(n_jobs=numcores)(delayed(heavy_lifting.heavy_lifting_fun)(i, "output.fastq") for i in split_fastq_list)
这篇文章可能会有所帮助。建议的解决方案:
import concurrent.futures
import os
from functools import wraps
def make_parallel(func):
"""
Decorator used to decorate any function which needs to be parallelized.
After the input of the function should be a list in which each element is a instance of input for the normal function.
You can also pass in keyword arguments separately.
:param func: function
The instance of the function that needs to be parallelized.
:return: function
"""
@wraps(func)
def wrapper(lst):
"""
:param lst:
The inputs of the function in a list.
:return:
"""
# the number of threads that can be max-spawned.
# If the number of threads are too high, then the overhead of creating the threads will be significant.
# Here we are choosing the number of CPUs available in the system and then multiplying it with a constant.
# In my system, i have a total of 8 CPUs so i will be generating a maximum of 16 threads in my system.
number_of_threads_multiple = 2 # You can change this multiple according to you requirement
number_of_workers = int(os.cpu_count() * number_of_threads_multiple)
if len(lst) < number_of_workers:
# If the length of the list is low, we would only require those many number of threads.
# Here we are avoiding creating unnecessary threads
number_of_workers = len(lst)
if number_of_workers:
if number_of_workers == 1:
# If the length of the list that needs to be parallelized is 1, there is no point in
# parallelizing the function.
# So we run it serially.
result = [func(lst[0])]
else:
# Core Code, where we are creating max number of threads and running the decorated function in parallel.
result = []
with concurrent.futures.ThreadPoolExecutor(max_workers=number_of_workers) as executor:
bag = {executer.submit(func, i): i for i in lst}
for future in concurrent.futures.as_completed(bag):
result.append(future.result())
else:
result = []
return result
return wrapper
使用示例:
# Paralleized way of calling the function
results = make_parallel(sample_function)(list_of_post_ids)