OMP variable reduction inside subroutine called in the OMP block - multithreading

I have a variable pointed to by this pointer in one of my routines:
complex(dp), pointer :: Pkc(:,:)=>NULL()
I also allocate it in the same routine:
call MIO_Allocate(Pkc,[1,1,1],[ptsTot,nAt,2],'Pkc','diag')
Inside this routine, I use it inside an OMP region:
!$OMP PARALLEL DO PRIVATE(iee, ie, unfoldedK), REDUCTION(+:Ake1, Ake2, Ake), &
!$OMP& SHARED(Pkc, KptsG, E, Kpts, AkeGaussian1, AkeGaussian2, AkeGaussian, nAt, nspin, is, ucell, gcell, H0, maxNeigh, hopp, NList, Nneigh, neighCell, gaussian, Epts)
do ik=1,ptsTot ! K loop
...
call DiagSpectralWeightWeiKuInequivalentInequivalent(nAt,nspin,is,Pkc(ik,:,:),E(:,is),Kpts(:,ik),unfoldedK(:),ucell,gcell,H0,maxNeigh,hopp,NList,Nneigh,neighCell)
...
end do
!$OMP END PARALLEL DO
where the new routine that is called is given by
subroutineDiagSpectralWeightWeiKu(N,ns,is,PkcLoc,E,K,KG,cell,H0,maxN,hopp,N List,Nneigh,neighCell)
...
complex(dp), intent(out) :: PkcLoc(N,2)
...
do j=1,N ! These are the eigenvectors with band index J
do in=1,N
PkcLoc(j,1) = PkcLoc(j,1) + exp(-cmplx_i*dot_product(KG, RtsVec(in,:))) * Hts(in,j)
end do
end do
...
end subroutine DiagSpectralWeightWeiKuInequivalent
How can I make sure that PkcLoc gets the proper behavior when doing OMP? I am getting segmentation faults which I assume are related to a missing REDUCTION on PkcLoc.
Any advice on how to solve this?
I found this thread, but it's different in the sense that in my case, the do loop is outside of the subroutine that is called.

Related

In julia, is there a macro to run a task in every thread?

I have a loop that I want to run multi-threaded. It depends on variables (arrays) that were preallocated and must be private to each thread. How do I do this preallocation in each thread? Alternatively, is there a macro to run a task in every thread?
The only solution I could think of relies on metaprogramming, therefore there is more overhead to convert a code (I have many arrays to preallocate). Here is what I got that works:
Threads.#threads for t = 1:Threads.nthreads()
# pre-alloc arrays for each thread
eval(Meta.parse("zl$(t) = Array{Float64}(undef, ($(ns),$(ns)))"))
end
Threads.#threads for i = 1:N
t = Threads.threadid()
zl = eval(Meta.parse("zl$(t)"))
# do things...
end
I was hoping for a solution similar to when you use OpenMP in a C code
#pragma omp parallel
{
double* zl = malloc(ns * ns * sizeof(double));
#pragma omp for
for (size_t i = 0; i < N; i++) {
// do things...
}
}
The rule in Julia is simple - if you do not know how to do something metaprogramming is never a good approach :-)
The pattern you need is to create a Vector of matrices and provide each matrix to each thread.
ns = 3
zls = [Matrix{Float64}(undef,ns,ns) for t in 1:Threads.nthreads()]
Threads.#threads for i = 1:N
zl = zls[Threads.threadid()]
# do things with zl....
end
If you want to prealocate the memory for zls in parallel try (although for all scenarios I can think of I doubt it is worth doing):
zls = Vector{Matrix{Float64}}(undef, Threads.nthreads())
Threads.#threads for i = 1:Threads.nthreads()
zls[i] = Matrix{Float64}(undef,ns,ns)
end

GFortran unformatted I/O throughput on NVMe SSDs

Please help me understand how I can improve sequential, unformatted I/O throughput with (G)Fortran, especially when working on NVMe SSDs.
I wrote a little test program, see bottom of this post. What this does is open one or more files in parallel (OpenMP) and write an array of random numbers into it. Then it flushes system caches (root required, otherwise the read test will most likely read from memory) opens the files, and reads from them. Time is measured in wall time (trying to include only I/O-related times), and performance numbers are given in MiB/s. The program loops until aborted.
The hardware I am using for testing is a Samsung 970 Evo Plus 1TB SSD, connected via 2 PCIe 3.0 lanes. So in theory, it should be capable of ~1500MiB/s sequential reads and writes.
Testing beforehand with "dd if=/dev/zero of=./testfile bs=1G count=1 oflag=direct" results in ~750MB/s. Not too great, but still better than what I get with Gfortran. And depending on who you ask, dd should not be used for benchmarking anyway. This is just to make sure that the hardware is in theory capable of more.
Results with my code tend to get better with larger file size, but even with 1GiB it caps out at around 200MiB/s write, 420MiB/s read. Using more threads (e.g. 4) increases write speeds a bit, but only to around 270MiB/s.
I made sure to keep the benchmark runs short, and give the SSD time to relax between tests.
I was under the impression that it should be possible to saturate 2 PCIe 3.0 lanes worth of bandwidth, even with only a single thread. At least when using unformatted I/O.
The code does not seem to be CPU limited, top shows less than 50% usage on a single core if I move the allocation and initialization of the "values" field out of the loop. Which still does not bode well for overall performance, considering that I would like to see numbers that are at least 5 times higher.
I also tried to use access=stream for the open statements, but to no avail.
So what seems to be the problem?
Is my code wrong/unoptimized? Are my expectations too high?
Platform used:
Opensuse Leap 15.1, Kernel 4.12.14-lp151.28.36-default
2x AMD Epyc 7551, Supermicro H11DSI, Samsung 970 Evo Plus 1TB (2xPCIe 3.0)
gcc version 8.2.1, compiler options: -ffree-line-length-none -O3 -ffast-math -funroll-loops -flto
MODULE types
implicit none
save
INTEGER, PARAMETER :: I8B = SELECTED_INT_KIND(18)
INTEGER, PARAMETER :: I4B = SELECTED_INT_KIND(9)
INTEGER, PARAMETER :: SP = KIND(1.0)
INTEGER, PARAMETER :: DP = KIND(1.0d0)
END MODULE types
MODULE parameters
use types
implicit none
save
INTEGER(I4B) :: filesize ! file size in MiB
INTEGER(I4B) :: nthreads ! number of threads for parallel ececution
INTEGER(I4B) :: alloc_size ! size of the allocated data field
END MODULE parameters
PROGRAM iometer
use types
use parameters
use omp_lib
implicit none
CHARACTER(LEN=100) :: directory_char, filesize_char, nthreads_char
CHARACTER(LEN=40) :: dummy_char1
CHARACTER(LEN=110) :: filename
CHARACTER(LEN=10) :: filenumber
INTEGER(I4B) :: thread, tunit, n
INTEGER(I8B) :: counti, countf, count_rate
REAL(DP) :: telapsed_read, telapsed_write, mib_written, write_speed, mib_read, read_speed
REAL(SP), DIMENSION(:), ALLOCATABLE :: values
call system_clock(counti,count_rate)
call getarg(1,directory_char)
dummy_char1 = ' directory to test:'
write(*,'(A40,A)') dummy_char1, trim(adjustl(directory_char))
call getarg(2,filesize_char)
dummy_char1 = ' file size (MiB):'
read(filesize_char,*) filesize
write(*,'(A40,I12)') dummy_char1, filesize
call getarg(3,nthreads_char)
dummy_char1 = ' number of parallel threads:'
read(nthreads_char,*) nthreads
write(*,'(A40,I12)') dummy_char1, nthreads
alloc_size = filesize * 262144
dummy_char1 = ' allocation size:'
write(*,'(A40,I12)') dummy_char1, alloc_size
mib_written = real(alloc_size,kind=dp) * real(nthreads,kind=dp) / 1048576.0_dp
mib_read = mib_written
CALL OMP_SET_NUM_THREADS(nthreads)
do while(.true.)
!$OMP PARALLEL default(shared) private(thread, filename, filenumber, values, tunit)
thread = omp_get_thread_num()
write(filenumber,'(I0.10)') thread
filename = trim(adjustl(directory_char)) // '/' // trim(adjustl(filenumber)) // '.temp'
allocate(values(alloc_size))
call random_seed()
call RANDOM_NUMBER(values)
tunit = thread + 100
!$OMP BARRIER
!$OMP MASTER
call system_clock(counti)
!$OMP END MASTER
!$OMP BARRIER
open(unit=tunit, file=trim(adjustl(filename)), status='replace', action='write', form='unformatted')
write(tunit) values
close(unit=tunit)
!$OMP BARRIER
!$OMP MASTER
call system_clock(countf)
telapsed_write = real(countf-counti,kind=dp)/real(count_rate,kind=dp)
write_speed = mib_written/telapsed_write
!write(*,*) 'write speed (MiB/s): ', write_speed
call execute_command_line ('echo 3 > /proc/sys/vm/drop_caches', wait=.true.)
call system_clock(counti)
!$OMP END MASTER
!$OMP BARRIER
open(unit=tunit, file=trim(adjustl(filename)), status='old', action='read', form='unformatted')
read(tunit) values
close(unit=tunit)
!$OMP BARRIER
!$OMP MASTER
call system_clock(countf)
telapsed_read = real(countf-counti,kind=dp)/real(count_rate,kind=dp)
read_speed = mib_read/telapsed_read
write(*,'(A29,2F10.3)') ' write / read speed (MiB/s): ', write_speed, read_speed
!$OMP END MASTER
!$OMP BARRIER
deallocate(values)
!$OMP END PARALLEL
call sleep(1)
end do
END PROGRAM iometer
The mistake in your code is that in your calculation of mib_written you have forgotten to take into account the size of a real(sp) variable (4 bytes). Thus your results are a factor of 4 too low. E.g. calculate it as
mib_written = filesize * nthreads
Some minor nits, some specific to GFortran:
Don't repeatedly call random_seed, particularly not from each thread. If you want to call it, call it once in the beginning of the program.
You can use open(newunit=tunit, ...) to let the compiler runtime allocate a unique unit number for each file.
If you want the 'standard' 64-bit integer/floating point kinds, you can use the variables int64 and real64 from the iso_fortran_env intrinsic module.
For testing with larger files, you need to make alloc_size of kind int64.
Use the standard get_command_argument intrinsic instead of the nonstandard getarg.
access='stream' is slightly faster than the default (sequential) as there's no need to handle the record length markers.
Your test program with these fixes (and the parameters module folded into the main program) below:
PROGRAM iometer
use iso_fortran_env
use omp_lib
implicit none
CHARACTER(LEN=100) :: directory_char, filesize_char, nthreads_char
CHARACTER(LEN=40) :: dummy_char1
CHARACTER(LEN=110) :: filename
CHARACTER(LEN=10) :: filenumber
INTEGER :: thread, tunit
INTEGER(int64) :: counti, countf, count_rate
REAL(real64) :: telapsed_read, telapsed_write, mib_written, write_speed, mib_read, read_speed
REAL, DIMENSION(:), ALLOCATABLE :: values
INTEGER :: filesize ! file size in MiB
INTEGER :: nthreads ! number of threads for parallel ececution
INTEGER(int64) :: alloc_size ! size of the allocated data field
call system_clock(counti,count_rate)
call get_command_argument(1, directory_char)
dummy_char1 = ' directory to test:'
write(*,'(A40,A)') dummy_char1, trim(adjustl(directory_char))
call get_command_argument(2, filesize_char)
dummy_char1 = ' file size (MiB):'
read(filesize_char,*) filesize
write(*,'(A40,I12)') dummy_char1, filesize
call get_command_argument(3, nthreads_char)
dummy_char1 = ' number of parallel threads:'
read(nthreads_char,*) nthreads
write(*,'(A40,I12)') dummy_char1, nthreads
alloc_size = filesize * 262144_int64
dummy_char1 = ' allocation size:'
write(*,'(A40,I12)') dummy_char1, alloc_size
mib_written = filesize * nthreads
dummy_char1 = ' MiB written:'
write(*, '(A40,g0)') dummy_char1, mib_written
mib_read = mib_written
CALL OMP_SET_NUM_THREADS(nthreads)
!$OMP PARALLEL default(shared) private(thread, filename, filenumber, values, tunit)
do while (.true.)
thread = omp_get_thread_num()
write(filenumber,'(I0.10)') thread
filename = trim(adjustl(directory_char)) // '/' // trim(adjustl(filenumber)) // '.temp'
if (.not. allocated(values)) then
allocate(values(alloc_size))
call RANDOM_NUMBER(values)
end if
open(newunit=tunit, file=filename, status='replace', action='write', form='unformatted', access='stream')
!$omp barrier
!$omp master
call system_clock(counti)
!$omp end master
!$omp barrier
write(tunit) values
close(unit=tunit)
!$omp barrier
!$omp master
call system_clock(countf)
telapsed_write = real(countf - counti, kind=real64)/real(count_rate, kind=real64)
write_speed = mib_written/telapsed_write
call execute_command_line ('echo 3 > /proc/sys/vm/drop_caches', wait=.true.)
!$OMP END MASTER
open(newunit=tunit, file=trim(adjustl(filename)), status='old', action='read', form='unformatted', access='stream')
!$omp barrier
!$omp master
call system_clock(counti)
!$omp end master
!$omp barrier
read(tunit) values
close(unit=tunit)
!$omp barrier
!$omp master
call system_clock(countf)
telapsed_read = real(countf - counti, kind=real64)/real(count_rate, kind=real64)
read_speed = mib_read/telapsed_read
write(*,'(A29,2F10.3)') ' write / read speed (MiB/s): ', write_speed, read_speed
!$OMP END MASTER
call sleep(1)
end do
!$OMP END PARALLEL
END PROGRAM iometer

Why does openMP hang on barrier within a while cycle?

I've got the following code:
int working_threads=1;
#pragma omp parallel
{
int my_num=omp_get_thread_num()+1;
int idle=false;
while(working_threads>0) {
if(my_num==1)
working_threads=0;
#pragma omp barrier
}
}
If I run it, it every now and then hangs on the barrier. The more threads, the more likely this is to happen. I've tried to debug it with printf and it seems that sometimes not all threads are executed and thus the barrier waits for them forever. This happens in the first iteration, the second one is obviously never run.
Is it an invalid piece of code? If so, how can I change it? I need to run a while loop in parallel. It is not known how many loops will be executed before, but it is guaranteed that all threads will have the same number of iterations.
Despite your attempt to synchronize with the barrier, you do have a race condition on working_threads that can easily lead to unequal amount of iterations:
thread 0 | thread 1
... | ...
while (working_threads > 0) [==true] | ...
if (my_num == 1) [==true] | ...
working_threads = 0 | ...
| while (working_threads > 0) [==false]
[hangs waiting for barrier] | [hangs trying to exit from parallel]
To fix your specific code, you would have to also add a barrier between the while-condition-check and working_threads = 0.
#pragma omp parallel
{
int my_num=omp_get_thread_num()+1;
int idle=false;
while(working_threads>0) {
#pragma omp barrier
if(my_num==1)
working_threads=0;
#pragma omp barrier
}
}
Note that the code is not exactly the most idiomatic or elegant solution. Depending on your specific work-sharing problem, there may be a better approach. Also you must ensure that worker_threads is written only by a single thread - or use atomics when writing.

Code takes much more time to finish with more than 1 thread

I want to benchmark some Fortran code with OpenMP-threads with a critical-section. To simulate a realistic environment I tried to generate some load before this critical-section.
!Kompileraufruf: gfortran -fopenmp -o minExample.x minExample.f90
PROGRAM minExample
USE omp_lib
IMPLICIT NONE
INTEGER :: n_chars, real_alloced
INTEGER :: nx,ny,nz,ix,iy,iz, idx
INTEGER :: nthreads, lasteinstellung,i
INTEGER, PARAMETER :: dp = kind(1.0d0)
REAL (KIND = dp) :: j
CHARACTER(LEN=32) :: arg
nx = 2
ny = 2
nz = 2
lasteinstellung= 10000
CALL getarg(1, arg)
READ(arg,*) nthreads
CALL OMP_SET_NUM_THREADS(nthreads)
!$omp parallel
!$omp master
nthreads=omp_get_num_threads()
!$omp end master
!$omp end parallel
WRITE(*,*) "Running OpenMP benchmark on ",nthreads," thread(s)"
n_chars = 0
idx = 0
!$omp parallel do default(none) collapse(3) &
!$omp shared(nx,ny,nz,n_chars) &
!$omp private(ix,iy,iz, idx) &
!$omp private(lasteinstellung,j) !&
DO iz=-nz,nz
DO iy=-ny,ny
DO ix=-nx,nx
! WRITE(*,*) ix,iy,iz
j = 0.0d0
DO i=1,lasteinstellung
j = j + real(i)
END DO
!$omp critical
n_chars = n_chars + 1
idx = n_chars
!$omp end critical
END DO
END DO
END DO
END PROGRAM
I compiled this code with gfortran -fopenmp -o test.x test.f90 and executed it with time ./test.x THREAD
Executing this code gives some strange behaviour depending on the thread-count (set with OMP_SET_NUM_THREADS): compared with one thread (6ms) the execution with more threads costs a lot more time (2 threads: 16000ms, 4 threads: 9000ms) on my multicore machine.
What could cause this behaviour? Is there a better (but still easy) way to generate load without running in some cache-effects or related things?
edit: strange behaviour: if I have the write in the nested loops, the execution speeds dramatically up with 2 threads. If its commented out, the execution with 2 or 3 threads takes forever (write shows very slow incrementation of loop variables)...but not with 1 or 4 threads. I tried this code also on another multicore machine. There it takes for 1 and 3 threads forever but not for 2 or 4 threads.
If the code you are showing is really complete you are missing definition of loadSet in the parallel section in which it is private. It is undefined and loop
DO i=1,loadSet
j = j + real(i)
END DO
can take a completely arbitrary number of iterations.
If the value is defined somewhere before in the code you do not show you probably want firstprivate instead of private.

OPENMP running the same job on threads

In my OPENMP code, I want all threads do the same job and at the end take the average ( basically calculate error). ( How I calculate error? Each thread generates different random numbers, so the result from each threads is different.)
Here is simple code
program ...
..
!$OMP PARALLEL
do i=1,Nstep
!.... some code goes here
result=...
end do
!$END PARALLEL
sum = result(from thread 0)+result(from thread 1)+...
sum = sum/(number of threads)
Simply I have to send do loop inside OPENMP to all threads, not blocking this loop.
I can do what I want using MPI and MPI_reduce, but I want to write a hybrid code OPENMP + MPI. I haven't figured out the OPENMP part, so suggestions please?
It is as simple as applying sum reduction over result:
USE omp_lib ! for omp_get_num_threads()
INTEGER :: num_threads
result = 0.0
num_threads = 1
!$OMP PARALLEL REDUCTION(+:result)
!$OMP SINGLE
num_threads = omp_get_num_threads()
!$OMP END SINGLE
do i = 1, Nstep
...
result = ...
...
end do
!$END PARALLEL
result = result / num_threads
Here num_threads is a shared INTEGER variable that is assigned the actual number of threads used to execute the parallel region. The assignment is put in a SINGLE construct since it suffices one thread - and no matter which one - to execute the assignment.

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