Fortran unformatted I/O optimization - performance

I'm working on a set of Fortran programs that are heavily I/O bound, and so am trying to optimize this. I've read at multiple places that writing entire arrays is faster than individual elements, i.e. WRITE(10)arr is faster than DO i=1,n; WRITE(10) arr(i); ENDDO. But, I'm unclear where my case would fall in this regard. Conceptually, my code is something like:
OPEN(10,FILE='testfile',FORM='UNFORMATTED')
DO i=1,n
[calculations to determine m values stored in array arr]
WRITE(10) m
DO j=1,m
WRITE(10) arr(j)
ENDDO
ENDDO
But m may change each time through the DO i=1,n loop such that writing the whole array arr isn't an option. So, collapsing the DO loop for writing would end up with WRITE(10) arr(1:m), which isn't the same as writing the whole array. Would this still provide a speed-up to writing, what about reading? I could allocate an array of size m after the calculations, assign the values to that array, write it, then deallocate it, but that seems too involved.
I've also seen differing information on implied DO loop writes, i.e. WRITE(10) (arr(j),j=1,m), as to whether they help/hurt on I/O overhead.
I'm running a couple of tests now, and intend to update with my observations. Other suggestions on applicable
Additional details:
The first program creates a large file, the second reads it. And, no, merging the two programs and keeping everything in memory isn't a valid option.
I'm using unformatted I/O and have access to the Portland Group and gfortran compilers. It's my understanding the PG's is generally faster, so that's what I'm using.
The output file is currently ~600 GB, the codes take several hours to run.
The second program (reading in the file) seems especially costly. I've monitored the system and seen that it's mostly CPU-bound, even when I reduce the code to little more than reading the file, indicating that there is very significant CPU overhead on all the I/O calls when each value is read in one-at-a-time.
Compiler flags: -O3 (high optimization) -fastsse (various performance enhancements, optimized for SSE hardware) -Mipa=fast,inline (enables aggressive inter-procedural analysis/optimization on compiler)
UPDATE
I ran the codes with WRITE(10) arr(1:m) and READ(10) arr(1:m). My tests with these agreed, and showed a reduction in runtime of about 30% for the WRITE code, the output file is also slightly less than half the original's size. For the second code, reading in the file, I made the code do basically nothing but read the file to compare pure read time. This reduced the run time by a factor of 30.

If you use normal unformatted (record-oriented) I/O, you also write a record marker before and after the data itself. So you add eight bytes (usually) of overhead to each data item, which can easily (almost) double the data written to disc if your number is a double precision. The runtime overhead mentioned in the other answers is also significant.
The argument above does not apply if you use unformatted stream.
So, use
WRITE (10) m
WRITE (10) arr(1:m)
For gfortran, this is faster than an implied DO loop (i.e. the solution WRITE (10) (arr(i),i=1,m)).
In the suggested solution, an array descriptor is built and passed to the library with a single call. I/O can then be done much more efficiently, in your case taking advantage of the fact that the data is contiguous.
For the implied DO loop, gfortran issues multiple library calls, with much more overhead. This could be optimized, and is subject of a long-standing bug report, PR 35339, but some complicated corner cases and the presence of a viable alternative have kept this from being optimized.
I would also suggest doing I/O in stream access, not because of the rather insignificant saving in space (see above) but because keeping up the leading record marker up to date on writing needs a seek, which is additional effort.
If your data size is very large, above ~ 2^31 bytes, you might run into different behavior with record markers. gfortran uses subrecords in this case (compatible to Intel), but it should just work. I don't know what Portland does in this case.
For reading, of course, you can read m, then allocate an allocatable array, then read the whole array in one READ statement.

The point of avoiding outputting an array by looping over multiple WRITE() operations is to avoid the multiple WRITE() operations. It's not particularly important that the data being output are all the members of the array.
Writing either an array section or a whole array via a single WRITE() operation is a good bet. An implied DO loop cannot be worse than an explicit outer loop, but whether it's any better is a question of compiler implementation. (Though I'd expect the implied-DO to be better than an outer loop.)

Related

Fortran implied do write speedup

tl;dr: I found that an "implied do" write was slower than an explicit one under certain circumstances, and want to understand why/if I can improve this.
Details:
I've got a code that does something to the effect of:
DO i=1,n
calculations...
!m, x, and y all change each pass through the loop
IF(m.GT.1)THEN
DO j=1,m
WRITE(10,*)x(j),y(j) !where 10 is an output file
ENDDO
ENDIF
ENDDO
The output file ends up being fairly large, and so it seems like the writing is a big performance factor, so I wanted to optimize it. Before anyone asks, no, moving away from ASCII isn't an option due to various downstream requirements. Accordingly, I rewrote the IF statement (and contents) as:
IF(m.GT.1)THEN
!build format statement for write
WRITE(mm1,*)m-1
mm1=ADJUSTL(mm1)
!implied do write statement
WRITE(10,'('//TRIM(mm1)//'(i9,1x,f7.5/),i9,1x,f7.5)')(x(j),y(j),j=1,m)
ELSEIF(m.EQ.1)THEN
WRITE(10,'(i9,1x,f7.5)')x(1),y(1)
ENDIF
This builds the format statement according to the # of values to be written out, then does a single write statement to output things. I've found that the code actually runs slower with this formulation. For reference, I've seen significant speedup on the same system (hardware and software) when going to an implied do write statement when the amount of data to be written was fixed. Under the assumption that the WRITE statement, itself, is faster, then that would mean the overhead from the couple of lines building that statement are what take the added time, but that seems hard to believe. For reference, m can vary a fair amount, but probably averages at least 1000. Is the concatenation of strings // a very slow operator, or is there something else I'm missing? Thanks in advance.
I haven't specific timing information to add, but your data transfer with an implied do loop is needlessly complicated.
In the first fragment, with the explicit looping, you are writing each pair of numbers to distinct records and you wish to repeat this output with the implied do loop. To do this, you use the slash edit descriptor to terminate each record once a pair has been written.
The needless complexity comes from two areas:
you have distinct cases for one/more than one pair;
for the more-than-one case you construct a format including a "dynamic" repeat count.
As Vladimir F comments you could just use a very large repeat count: it isn't erroneous for an edit descriptor to be processed when there are no more items to be written. The output terminates (successfully) when reaching such a non-matching descriptor. You could, then, just write
WRITE(10,'(*(i9,1x,f7.5/))') (x(j),y(j),j=1,m) ! * replacing a large count
rather than the if construct and the format creation.
Now, this doesn't quite match your first output. As I mentioned above, output termination comes about when a data edit descriptor is reached when there is no corresponding item to output. This means that / will be processed before that happens: you have a final empty record.
The colon edit descriptor is useful here:
WRITE(10,'(*(i9,1x,f7.5,:,/))') (x(j),y(j),j=1,m)
On reaching a : processing stops immediately if there is no remaining output item to process.
But my preferred approach is the far simpler
WRITE(10,'(i9,1x,f7.5)') (x(j),y(j),j=1,m) ! No repeat count
You had the more detailed format to include record termination. However, we have what is known as format reversion: if a format end is reached and more remains to be output then the record is terminated and processing goes back to the start of the format.
Whether these things make your output faster remains to be seen, but they certainly make the code itself much cleaner and clearer.
As a final note, it used to be trendy to avoid additional X editing. If your numbers fit inside the field of width 7 then 1x,f7.5 could be replaced by f8.5 and have the same look: the representation is right-justified in the field. It was claimed that this reduction had performance benefits with fewer switching of descriptors.

Overhead of std::optional<T>?

Now that std::experimental::optional has been accepted (or is about to be accepted), I wonder what is the overhead and the consequences on the assembly generated when the inner value is get by the following operators :
->
*
value
value_or
compared to the case without std::optional. It could be particularly important for computationaly intensive programs.
For example, what would be order of magnitude of the overhead on operations on a std::vector<std::experimental::optional<double>> compared to a std::vector<double> ?
-> and * ought to have zero overhead.
value and value_or ought to have the overhead of one branch: if(active)
Also, copy/move constructor, copy/move assignment, swap, emplace, operator==, operator<, and the destructor ought to also have the overhead of one branch.
However, one banch of overhead is so small it probably can't even be measured. Seriously, write pretty code, and don't worry about the performance here. Odds are making the code pretty will result in it running faster than if you tried to make it fast. Counter-intuitive, but do it anyway.
There are definitely cases where the overhead becomes noticible, for instance sorting a large number of optionals. In these cases, there's four situations,
(A) all the optionals known to be empty ahead of time, in which case, why sort?
(B) Some optionals may or may not be active, in which case the overhead is required and there is no better way.
(C) All optionals are known to have values ahead of time and you don't need the sorted-data in place, in which case, use the zero overhead operators to make a copy of the data where the copy is using the raw type instead of optional, and sort that.
(D) All optionals are known to have values ahead of time, but you need the sorted data in-place. In this case, optional is adding unnecessary overhead, and the easiest way to work around it is to do step C, and then use the no-overhead operators to move the data back.
Besides the other answer, you should also consider that std::optional requires additional memory.
Often it's not just an extra byte, but (at least for "small" types) a 2x space overhead due to padding .
Maybe RAM isn't a problem but that also means fewer values available in the cache.
A sentinel value, if specific knowledge allows to use it, could be a better choice (probably in the form of markable to keep type safety).
An interesting reading is: Boost optional - Performance considerations

How to first check files on equality before doing a byte by byte comparison?

I am writing a program that compare a lot of files.
I first group files by filesize. Then I check them byte by byte between grouped files. What params or propeties can I check before byte by byte comparsion to minimize using it?
Upd:
To get check sum i need to read entire file. I seek some property that can filter unequal files. I forgot to say that i need 100% equal of files. Hash functions have collision.
If the files are recorded as being the same size by the operating system then there is no way to know if they are different other than checking bytes.
For a group of files, once two files are known to be the same, then the comparison only needs to be done for one of the two. It would be wise to sort the files in a group by date for this reason, on the theory that files with similar dates are more likely to be identical. Thus, you should maintain lists of identical files. When a new comparison is done it need only be compared to the head of the list.
You should allocate as much memory as possible up front and keep the list heads in memory.
When the comparison is being done you should not actually compare bytes, but words. For example, on a 32-bit machine you would read data in 512-byte blocks from the hard drive and then each block would be compared 4-bytes at a time. Newer x86 processors have vectorized op instructions called MMX. You want to be sure you are using those.
If you are writing in C for an Intel box, use Intel's compiler, not Microsoft's. Double check the assembly to make sure the compiler is not doing something stupid.
You can also increase the speed of the work by parallelizing it. This is done by creating threads. For example, if the code is running on a quad core machine you create 4 threads and divide the work among the 4 threads.
Check file's checksum. It was mend for this task
For Python you can use hashlib. For C you can use, for example, md5 from openssl. There are similar functions for php, MySQL, and probably for every other programming language
Eventually you can use linux built-in md5sum

Performance difference between iterating once and iterating twice?

Consider something like...
for (int i = 0; i < test.size(); ++i) {
test[i].foo();
test[i].bar();
}
Now consider..
for (int i = 0; i < test.size(); ++i) {
test[i].foo();
}
for (int i = 0; i < test.size(); ++i) {
test[i].bar();
}
Is there a large difference in time spent between these two? I.e. what is the cost of the actual iteration? It seems like the only real operations you are repeating are an increment and a comparison (though I suppose this would become significant for a very large n). Am I missing something?
First, as noted above, if your compiler can't optimize the size() method out so it's just called once, or is nothing more than a single read (no function call overhead), then it will hurt.
There is a second effect you may want to be concerned with, though. If your container size is large enough, then the first case will perform faster. This is because, when it gets to test[i].bar(), test[i] will be cached. The second case, with split loops, will thrash the cache, since test[i] will always need to be reloaded from main memory for each function.
Worse, if your container (std::vector, I'm guessing) has so many items that it won't all fit in memory, and some of it has to live in swap on your disk, then the difference will be huge as you have to load things in from disk twice.
However, there is one final thing that you have to consider: all this only makes a difference if there is no order dependency between the function calls (really, between different objects in the container). Because, if you work it out, the first case does:
test[0].foo();
test[0].bar();
test[1].foo();
test[1].bar();
test[2].foo();
test[2].bar();
// ...
test[test.size()-1].foo();
test[test.size()-1].bar();
while the second does:
test[0].foo();
test[1].foo();
test[2].foo();
// ...
test[test.size()-1].foo();
test[0].bar();
test[1].bar();
test[2].bar();
// ...
test[test.size()-1].bar();
So if your bar() assumes that all foo()'s have run, you will break it if you change the second case to the first. Likewise, if bar() assumes that foo() has not been run on later objects, then moving from the second case to the first will break your code.
So be careful and document what you do.
There are many aspects in such comparison.
First, complexity for both options is O(n), so difference isn't very big anyway. I mean, you must not care about it if you write quite big and complex program with a large n and "heavy" operations .foo() and bar(). So, you must care about it only in case of very small simple programs (this is kind of programs for embedded devices, for example).
Second, it will depend on programming language and compiler. I'm assured that, for instance, most of C++ compilers will optimize your second option to produce same code as for the first one.
Third, if compiler haven't optimized your code, performance difference will heavily depend on the target processor. Consider loop in a term of assembly commands - it will look something like this (pseudo assembly language):
LABEL L1:
do this ;; some commands
call that
IF condition
goto L1
;; some more instructions, ELSE part
I.e. every loop passage is just IF statement. But modern processors don't like IF. This is because processors may rearrange instructions to execute them beforehand or just to avoid idles. With the IF (in fact, conditional goto or jump) instructions, processors do not know if they may rearrange operation or not.
There's also a mechanism called branch predictor. From material of Wikipedia:
branch predictor is a digital circuit that tries to guess which way a branch (e.g. an if-then-else structure) will go before this is known for sure.
This "soften" effect of IF's, through if the predictor's guess is wrong, no optimization will be performed.
So, you can see that there's a big amount of conditions for both your options: target language and compiler, target machine, it's processor and branch predictor. This all makes very complex system, and you cannot foresee what exact result you will get. I believe, that if you don't deal with embedded systems or something like that, the best solution is just to use the form which your are more comfortable with.
For your examples you have the additional concern of how expensive .size() is, since it's compared for each time i increments in most languages.
How expensive is it? Well that depends, it's certainly all relative. If .foo() and .bar() are expensive, the cost of the actual iteration is probably minuscule in comparison. If they're pretty lightweight, then it'll be a larger percentage of your execution time. If you want to know about a particular case test it, this is the only way to be sure about your specific scenario.
Personally, I'd go with the single iteration to be on the cheap side for sure (unless you need the .foo() calls to happen before the .bar() calls).
I assume .size() will be constant. Otherwise, the first code example might not give the same as the second one.
Most compilers would probably store .size() in a variable before the loop starts, so the .size() time will be cut down.
Therefore the time of the stuff inside the two for loops will be the same, but the other part will be twice as much.
Performance tag, right.
As long as you are concentrating on the "cost" of this or that minor code segment, you are oblivious to the bigger picture (isolation); and your intention is to justify something that, at a higher level (outside your isolated context), is simply bad practice, and breaks guidelines. The question is too low level and therefore too isolated. A system or program which is set of integrated components will perform much better that a collection of isolated components.
The fact that this or that isolated component (work inside the loop) is fast or faster is irrelevant when the loop itself is repeated unnecessarily, and which would therefore take twice the time.
Given that you have one family car (CPU), why on Earth would you:
sit at home and send your wife out to do her shopping
wait until she returns
take the car, go out and do your shopping
leaving her to wait until you return
If it needs to be stated, you would spend (a) almost half of your hard-earned resources executing one trip and shopping at the same time and (b) have those resources available to have fun together when you get home.
It has nothing to do with the price of petrol at 9:00 on a Saturday, or the time it takes to grind coffee at the café, or cost of each iteration.
Yes, there is a large diff in the time and the resources used. But the cost is not merely in the overhead per iteration; it is in the overall cost of the one organised trip vs the two serial trips.
Performance is about architecture; never doing anything twice (that you can do once), which are the higher levels of organisation; integrated of the parts that make up the whole. It is not about counting pennies at the bowser or cycles per iteration; those are lower orders of organisation; which ajust a collection of fragmented parts (not a systemic whole).
Masseratis cannot get through traffic jams any faster than station wagons.

How to print array of integers into console quickly?

I have an array of integers
a = [1,2,3,4]
When I do
a.join
Ruby internally calls the to_s method 4 times, which is too slow for my needs.
What is the fastest method to output an big array of integers to console?
I mean:
a = [1,2,3,4........,1,2,3,9], should be:
1234........1239
If you want to print an integer to stdout, you need to convert it to a string first, since that's all stdout understands. If you want to print two integers to stdout, you need to convert both of them to a string first. If you want to print three integers to stdout, you need to convert all three of them to a string first. If you want to print one billion integers to stdout, you need to convert all one billion of them to a string first.
There's nothing you, we, or Ruby, or really any programming language can do about that.
You could try interleaving the conversion with the I/O by doing a lazy stream implementation. You could try to do the conversion and the I/O in parallel, by doing a lazy stream implementation and separating the conversion and the I/O into two separate threads. (Be sure to use a Ruby implementation which can actually execute parallel threads, not all of them can: MRI, YARV and Rubinius can't, for example.)
You can parallelize the conversion, by converting separate chunks in the array in separate threads in parallel. You can even buy a billion core machine and convert all billion integers at the same time in parallel.
But even then, the fact of the matter remains: every single integer needs to be converted. Whether you do that one after the other first, and then print them or do it one after the other interleaved with the I/O or do it one after the other in parallel with the I/O or even convert all of them at the same time on a billion core CPU: the number of needed conversions does not magically decrease. A large number of integers means a large number of conversions. Even if you do all billion conversions in a billion core CPU in parallel, it's still a billion conversions, i.e. a billion calls to to_s.
As stated in the comments above if Fixnum.to_s is not performing quickly enough for you then you really need to consider whether Ruby is the correct tool for this particular task.
However, there are a couple of things you could do that may or may not be applicable for your situation.
If the building of the array happens outside the time critical area then build the array, or a copy of the array with strings instead of integers. With my small test of 10000 integers this is approximately 5 times faster.
If you control both the reading and the writing process then use Array.pack to write the output and String.unpack to read the result. This may not be quicker as pack seems to call Fixnum.to_int even when the elements are already Integers.
I expect these figures would be different with each version of Ruby so it is worth checking for your particular target version.
The slowness in you program does not come from to_s being called 4 times, but from printing to the console. Console output is slow, and you can't really do anything about it.
For single digits you can do this
[1,2,3,4,5].map{|x|(x+48).chr}.join
If you need to speed up larger numbers you could try memoizing the result of to_s
Unless you really need to see the numbers on the console (and it sound like you do not) then write them to a file in binary - should be much faster.
And you can pipe binary files into other programs if that is what you need to do, not just text.

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