Partition a 3D array AND use allgather - fortran

I now want to use the allgather to rebuild a 3D array. 16 cups are claimed and the data of the Y-Z plane are partitioned into 4*4 parts.
Also a new type (newtype) is created for convenience.
Are the errors related to this new type, Thanks!
!==================================================================================================================================
!****** [ Program main ] ********************************************************************************************************
!==================================================================================================================================
program main
Use mpi
implicit none
integer i, j, k, count, realsize
integer, parameter :: nx = 8, ny = 8, nz = 8
Integer :: interval
real(4), dimension(nx,ny,nz):: u_xyz
Real(4),dimension(:,:,:), allocatable :: Temp0
! === MPI Related ===
Integer, Parameter :: master = 0
Integer :: ierr, num_procs, myid, p_row, p_col, newtype, resizedtype
integer, save :: MPI_COMM_CART
integer, dimension(2) :: dims, coord
Integer, Dimension(2) :: R_coord, C_coord, MPGD
Integer, Dimension(3) :: sizes, subsizes, starts
integer,dimension(:),allocatable :: displacement
integer(kind=mpi_address_kind) :: lb, extent
logical, dimension(2) :: periodic
!--------------=======--------------
! Initialize MPI
!
call MPI_Init ( ierr )
!
! Get the number of processes.
!
call MPI_Comm_size ( MPI_COMM_WORLD, num_procs, ierr )
!
! Get the individual process ID.
!
call MPI_Comm_rank ( MPI_COMM_WORLD, myid, ierr )
!--------------=======--------------
! Y-Z PLANE SPLIT
!--------------=======--------------
p_row = 4; p_col = 4
If(p_row*p_col .NE. num_procs) Print *, 'Wrong CPU Numbers'
!--------------=======--------------
dims(1) = p_row
dims(2) = p_col
periodic(1) = .false.
periodic(2) = .false.
call MPI_CART_CREATE(MPI_COMM_WORLD,2,dims,periodic, &
.false., & ! do not reorder rank
MPI_COMM_CART, ierr)
call MPI_CART_COORDS(MPI_COMM_CART,myid,2,coord,ierr)
!--------------=======--------------
!----------YZ Plane Locations-----
!--------------=======--------------
Interval = Ceiling(dble(ny)/dble(p_row))
If (coord(1) .NE. p_row-1 ) then
R_coord(1) = 1 + (coord(1))*Interval
R_coord(2) = R_coord(1) + Interval - 1
Else
R_coord(1) = 1 + coord(1)*Interval
R_coord(2) = ny
End If
Interval = Ceiling(dble(nz)/dble(p_col))
If (coord(2) .NE. p_col-1 ) then
C_coord(1) = 1 + (coord(2))*Interval
C_coord(2) = C_coord(1) + Interval - 1
Else
C_coord(1) = 1 + (coord(2))*Interval
C_coord(2) = nz
End If
!--------------=======--------------
!----------Obtain displacement-----
!--------------=======--------------
! COUNT = 0
! DO K=1,nz
! DO J=1,ny
! DO I=1,nx
! If(i==1.and.j== R_coord(1).and.k==C_coord(1)) print *, myid, R_coord(1), C_coord(1), COUNT
! COUNT = COUNT + 1
! ENDDO
! ENDDO
! ENDDO
allocate(Temp0(nx,R_coord(1):R_coord(2),C_coord(1):C_coord(2)))!
allocate(displacement(num_procs))
Do k=C_coord(1),C_coord(2)
Do j=R_coord(1),R_coord(2)
Do i=1,nx
u_xyz(i,j,k)= i+j+k
End Do; End Do
End Do
Do i=0,num_procs-1
displacement(i)= (i/4)*(16) + mod(i,4)*128
! if(myid==0) print *, i, displacement(i)
Enddo
!--------------=======--------------
! --- Create the same block type ---
!--------------=======--------------
sizes(1) = nx
sizes(2) = ny
sizes(3) = nz
subsizes(1) = nx
subsizes(2) = R_coord(2)-R_coord(1)+1
subsizes(3) = C_coord(2)-C_coord(1)+1
starts(1) = 0 ! 0-based index
starts(2) = 0
starts(3) = 0
call MPI_TYPE_CREATE_SUBARRAY(3, sizes, subsizes, starts, &
MPI_ORDER_FORTRAN, MPI_REAL, newtype, ierr)
call MPI_Type_size(MPI_REAL, realsize, ierr)
extent = 1*realsize
lb = 0
call MPI_Type_create_resized(newtype, lb, extent, resizedtype, ierr)
call MPI_Type_commit(resizedtype, ierr)
Call MPI_Allgather(Temp0(1,R_coord(1),C_coord(1)),resizedtype, &
1, u_xyz, resizedtype, displacement, &
1, MPI_COMM_WORLD)
call MPI_TYPE_FREE(newtype,ierr)
777 Format(15e25.16e3)
Call MPI_Barrier(MPI_COMM_WORLD, ierr)
Call MPI_Finalize ( ierr )
stop
end program main
The code had some error messages as follows:
[desktop:18885] *** An error occurred in MPI_Allgather
[desktop:18885] *** reported by process [139648622723073,139646566662149]
[desktop:18885] *** on communicator MPI_COMM_SELF
[desktop:18885] *** MPI_ERR_TYPE: invalid datatype
[desktop:18885] *** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
[desktop:18885] *** and potentially your MPI job)
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[31373,1],0]
Exit code: 3
--------------------------------------------------------------------------
[desktop:18878] 7 more processes have sent help message help-mpi-errors.txt / mpi_errors_are_fatal
[desktop:18878] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages

The correct code. Thanks to the comments above. Care should be taken when defining the type, such as.
recvcounts
integer array (of length group size) containing the number of elements that are to be received from each process
displs
integer array (of length group size). Entry i specifies the displacement (relative to recvbuf ) at which to place the incoming
data from process i recvtype
!==================================================================================================================================
!****** [ Program main ] ********************************************************************************************************
!==================================================================================================================================
program main
Use mpi
implicit none
integer i, j, k,ii
integer count, realsize
integer, parameter :: nx = 8, ny = 8, nz = 8
Integer :: interval
real(4), dimension(nx*ny*nz):: u_xyz
Real(4),dimension(:,:,:), allocatable :: Temp0
! === MPI Related ===
Integer, Parameter :: master = 0
Integer :: ierr, num_procs, myid, p_row, p_col, newtype, resizedsd, resizedrv
integer, save :: MPI_COMM_CART
integer, dimension(2) :: dims, coord
Integer, Dimension(2) :: R_coord, C_coord, MPGD
Integer, Dimension(3) :: sizes, subsizes, starts
integer,dimension(:),allocatable :: displacement, recvcnt
integer(kind=mpi_address_kind) :: lb, extent
logical, dimension(2) :: periodic
!--------------=======--------------
! Initialize MPI
!
call MPI_Init ( ierr )
!
! Get the number of processes.
!
call MPI_Comm_size ( MPI_COMM_WORLD, num_procs, ierr )
!
! Get the individual process ID.
!
call MPI_Comm_rank ( MPI_COMM_WORLD, myid, ierr )
!--------------=======--------------
! Y-Z PLANE SPLIT
!--------------=======--------------
p_row = 4; p_col = 4
If(p_row*p_col .NE. num_procs) Print *, 'Wrong CPU Numbers'
!--------------=======--------------
dims(1) = p_row
dims(2) = p_col
periodic(1) = .false.
periodic(2) = .false.
call MPI_CART_CREATE(MPI_COMM_WORLD,2,dims,periodic, &
.false., & ! do not reorder rank
MPI_COMM_CART, ierr)
call MPI_CART_COORDS(MPI_COMM_CART,myid,2,coord,ierr)
!--------------=======--------------
!----------YZ Plane Locations-----
!--------------=======--------------
Interval = Ceiling(dble(ny)/dble(p_row))
If (coord(1) .NE. p_row-1 ) then
R_coord(1) = 1 + (coord(1))*Interval
R_coord(2) = R_coord(1) + Interval - 1
Else
R_coord(1) = 1 + coord(1)*Interval
R_coord(2) = ny
End If
Interval = Ceiling(dble(nz)/dble(p_col))
If (coord(2) .NE. p_col-1 ) then
C_coord(1) = 1 + (coord(2))*Interval
C_coord(2) = C_coord(1) + Interval - 1
Else
C_coord(1) = 1 + (coord(2))*Interval
C_coord(2) = nz
End If
!--------------=======--------------
!----------Obtain displacement-----
!--------------=======--------------
! COUNT = 0
! DO K=1,nz
! DO J=1,ny
! DO I=1,nx
! If(i==1.and.j== R_coord(1).and.k==C_coord(1)) print *, myid, R_coord(1), C_coord(1), COUNT
! COUNT = COUNT + 1
! ENDDO
! ENDDO
! ENDDO
allocate(Temp0(1:nx,R_coord(1):R_coord(2),C_coord(1):C_coord(2)))!
allocate(displacement(num_procs),recvcnt(num_procs))
Do k=C_coord(1),C_coord(2)
Do j=R_coord(1),R_coord(2)
Do i=1,nx
Temp0(i,j,k)= i+j*10+k*100
End Do; End Do
End Do
Do i=1,num_procs
ii = i-1
displacement(i)= (ii/4)*(16) + mod(ii,4)*128
! if(myid==0) print *, i, displacement(i)
Enddo
!--------------=======--------------
! --- Create the same block type ---
!--------------=======--------------
sizes(1) = nx
sizes(2) = ny
sizes(3) = nz
subsizes(1) = nx
subsizes(2) = R_coord(2)-R_coord(1)+1
subsizes(3) = C_coord(2)-C_coord(1)+1
starts(1) = 0 ! 0-based index
starts(2) = 0
starts(3) = 0
recvcnt(:)= 1
call MPI_TYPE_CREATE_SUBARRAY(3, sizes, subsizes, starts, &
MPI_ORDER_FORTRAN, MPI_REAL, newtype, ierr)
call MPI_Type_size(MPI_REAL, realsize, ierr)
extent = 1*realsize
lb = 0
call MPI_Type_create_resized(newtype, lb, extent, resizedrv, ierr)
call MPI_Type_commit(resizedrv, ierr)
Call MPI_AllgatherV(Temp0(1,R_coord(1),C_coord(1)), subsizes(1)*subsizes(2)*subsizes(3), MPI_REAL, &
u_xyz, recvcnt,displacement, resizedrv, MPI_COMM_WORLD, ierr)
call MPI_TYPE_FREE(resizedrv,ierr)
! If(myid.eq.10) then
! Count = 0
! do k=1,nz
! do J=1,ny
! do i=1,nx
! Count = Count + 1
! print*, u_xyz(count)- (i+j*10+k*100), i,j,k
! enddo; enddo; enddo
! end if
777 Format(15e25.16e3)
Call MPI_Barrier(MPI_COMM_WORLD, ierr)
Call MPI_Finalize ( ierr )
stop
end program main

Related

Does write statement in Fortran90 affect resulting variable?

I know write statement is just to print the variable. But I have found something in my code.
For example, there are two variables called 'T_avg' and 'T_favg.'
I wanted to print T_favg, I used the line below.
write(*,*) T_favg
result: 100
And then I also wanted to see T_avg, I added variable.
write(*,*) T_avg, T_favg
result: 50, 200
I did not modify the code at all except that line, but the result of T_favg is different.
I used this command line.
ifort.exe /O2 scale_analysis(07022020).f90 -o test.exe
Is there any circumstance occurring it?
**Sorry, I added my code.
PROGRAM scale_analysis
USE, INTRINSIC :: iso_fortran_env, ONLY: real32, real64, FILE_STORAGE_SIZE
IMPLICIT NONE
! DECLARE PARAMETERS
INTEGER, PARAMETER :: SP = real32 ! SINGLE-PRECISION REAL
INTEGER, PARAMETER :: DP = real64 ! DOUBLE-PRECISION REAL
INTEGER, PARAMETER :: nx = 1024 ! TOTAL NUMBER OF GRID POINTS
INTEGER, PARAMETER :: iskip = 2
! DECLARE ALLOCATABLE ARRAYS
REAL(SP), ALLOCATABLE, DIMENSION(:,:,:) :: STMP, T, RHO
! DECLARE VARIABLES FOR SUMMATION
REAL(SP) :: rho_sum, rhoT_sum, T_sum
! DECLARE VARIABLES FOR REYNOLDS-AVERAGING
REAL(SP) :: rho_avg, rhoT_avg, T_avg
! DECLARE VARIABLES FOR FAVRE-AVERAGING
REAL(SP) :: T_favg
INTEGER :: i, j, k
CHARACTER(LEN=100) :: outfile, varname, infile4, infile5
CHARACTER(LEN=100) :: filename
!--------------------------------------------------------------------------
! DEMONSTRATE READ_DATA
!--------------------------------------------------------------------------
ALLOCATE(T(nx/iskip, nx/iskip, nx/iskip))
ALLOCATE(RHO(nx/iskip, nx/iskip, nx/iskip))
ALLOCATE(STMP(nx, nx, nx))
STMP = 0.0_SP
!--------------------------------------------------------------------------
! INITIALIZATION OF SUMMATION VARIABLES
!--------------------------------------------------------------------------
rho_sum = 0.0; rhoT_sum = 0.0;
T_sum = 0.0;
T_avg = 0.0; T_favg = 0.0;
!--------------------------------------------------------------------------
! DATA IMPORT -START
!--------------------------------------------------------------------------
varname = 'Z1_dil_inertHIT'
outfile = 'terms_in_Kolla(Z1_inertHIT).txt'
infile4 = 'E:\AUTOIGNITION\Z1\Temperature_inertHIT.bin'
infile5 = 'E:\AUTOIGNITION\Z1\Density_inertHIT.bin'
OPEN(44, file=TRIM(ADJUSTL(infile4)), status='old', access='stream', &
form='unformatted')
READ(44) stmp
CLOSE(44)
DO k = 1, nx/iskip
DO j = 1, nx/iskip
DO i = 1, nx/iskip
T(i,j,k) = stmp(1+iskip*(i-1), 1+iskip*(j-1), 1+iskip*(k-1))
END DO
END DO
END DO
WRITE(*, '(A)') 'Data4 is successfully read ... '
OPEN(55, file=TRIM(ADJUSTL(infile5)), status='old', access='stream', &
form='unformatted')
READ(55) stmp
CLOSE(55)
DO k = 1, nx/iskip
DO j = 1, nx/iskip
DO i = 1, nx/iskip
RHO(i,j,k) = stmp(1+iskip*(i-1), 1+iskip*(j-1), 1+iskip*(k-1))
END DO
END DO
END DO
WRITE(*, '(A)') 'Data5 is successfully read ... '
DEALLOCATE(stmp)
!--------------------------------------------------------------------------
! COMPUTE U_RMS
!--------------------------------------------------------------------------
DO k = 1, nx/iskip
DO j = 1, nx/iskip
DO i = 1, nx/iskip
rho_sum = rho_sum + RHO(i,j,k)
END DO
END DO
END DO
rho_avg = rho_sum / REAL((nx/iskip)**3)
!--------------------------------------------------------------------------
! COMPUTE TEMPERATRUE TAYLOR LENGTH SCALE(LAMBDA_T)
! C.TOWERY, DETONATION INITIATION BY COMPRESSIBLE TURBULENCE THERMODYNAMIC
! FLUCTUATIONS, CNF, 2019
!--------------------------------------------------------------------------
DO k = 1, nx/iskip
DO j = 1, nx/iskip
DO i = 1, nx/iskip
T_sum = T_sum + T(i,j,k)
rhoT_sum = rhoT_sum + ( RHO(i,j,k)*T(i,j,k) )
END DO
END DO
END DO
T_avg = T_sum / REAL((nx/iskip)**3)
rhoT_avg = rhoT_sum / REAL((nx/iskip)**3)
T_favg = rhoT_avg / rho_avg
DO k = 1, nx/iskip
DO j = 1, nx/iskip
DO i = 1, nx/iskip
rhoT_p_sum = rhoT_p_sum + RHO(i,j,k)*( (T(i,j,k) - T_favg)**2 )
END DO
END DO
END DO
rhoT_p_avg = rhoT_p_sum / REAL((nx/iskip)**3)
T_p = SQRT( rhoT_p_avg / rho_avg )
write(*,*) T_favg
write(*,*) T_avg,T_favg
END PROGRAM scale_analysis
The problematic part is write statement. If I erase T_avg from the second write statement line, then T_favg changes.

Some hints on mpi_gatherv

I am trying to understand mpi_gatherv through a simple example:
each rank has an array called x_local of size "id+1" thus rank 1 has x_local(1), rank 2 has x_local(2) and so on. In total I am using 4 procs.
For simplicity x_local = real(id+1)
On output I would like to have an array x (only for the root processor) like this:
x=(1,2,2,3,3,3,4,4,4,4)
Here is my code:
subroutine testGatherV
! Global variables
use mpi
use mpivar
! Local variables
implicit none
integer i, ierr, displs(nid), rcounts(nid)
real, dimension(:), allocatable:: x_local
real, dimension(:), allocatable:: x
allocate(x_local(id+1))
allocate(x(10))
!
x=-1.0
displs(1) = 0
displs(2) = 1
displs(3) = 3
displs(4) = 6
rcounts(1) = 1
rcounts(2) = 2
rcounts(3) = 3
rcounts(4) = 4
x_local = real(id+1)
call mpi_gatherv(x_local, id+1, MPI_REAL, x, rcounts, displs, &
MPI_REAL, 0, MPI_COMM_WORLD, ierr)
if(id.eq.0) write(*,*) 'x = ', x
end
The output is:
x = 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.0000000000000000 4.0000000000000000 -1.0000000000000000 -1.0000000000000000 -1.0000000000000000 -1.0000000000000000 -1.0000000000000000
Where am I wrong? Any help will be much appreciated. Thank you.

running mpi subroutine in fortran program

I want to run a Fortran program which calls a subroutine that I want to parallelize with MPI. I know this sounds complicated, but I want to be able to specify the number of processes for each call. What I would want to use is a structure like this:
program my_program
implicit none
!Define variables
nprocs = !formula for calculating number of processes.
call my_subroutine(output,nprocs,other input vars)
end my_program
I want to run my_subroutine with the same effect as this:
mpirun -n nprocs my_subroutine.o
where my_subroutine has been compiled with 'other input vars.'
Is this possible?
Here is a simple example. I try compiling as follows:
$ mpif90 -o my_program WAVE_2D_FP_TUNER_mpi.f90 randgen.f SIMPLE_ROUTINE.f90
I try to run it like this:
$ mpirun -np (1 or 2) my_program
PROGRAM WAVE_2D_FP_TUNER_mpi
USE MPI
IMPLICIT NONE
REAL(KIND=8) :: T,PARAM(1:3),Z,ZBQLU01
REAL(KIND=8) :: ERRORS,COSTS,CMAX,CMAX_V(1:1000),THRESHOLD,Z_MIN,Z_MAX
REAL(KIND=8) :: U,S,R(1:6),MATRIX(1:15)
INTEGER :: EN,INC,I,J,M,P
INTEGER :: NPROCS,IERR
!0.8,-0.4,0.4,10,4,4,7 -- [0.003,0.534]
!0.8,-0.2,0.2,10,4,4,7 -- [0.190,0.588]
CALL MPI_INIT(IERR)
CALL MPI_COMM_SIZE(MPI_COMM_WORLD,NPROCS,IERR)
THRESHOLD = 0.D0
EN = 81
INC = 1
Z_MIN = -2.D-1; Z_MAX = 2.D-1
T = 1.D0
PARAM(1) = 10.D0; PARAM(2) = 4.D0; PARAM(3) = 4.D0
CMAX = 7.D0 !Max that wave speed could possibly be.
CALL ZBQLINI(0.D0)
OPEN(UNIT = 1, FILE = "TUNER_F.txt")
WRITE(1,*) 'Grid Size: '
WRITE(1,*) T/(EN-1)
DO P = 1,15
S = 0
Z = Z_MIN + (1.d0/(15-1))*dble((P-1))*(Z_MAX - Z_MIN)
WRITE(1,*) 'Z: ',Z
DO I = 1,1000
DO J = 1,6
R(J) = ZBQLU01(0.D0)
END DO
!CALL PDE_WAVE_F_mpi(T,PARAM,R,Z,CMAX,EN,INC,NPROCS,U)
CALL SIMPLE_ROUTINE(T,PARAM,R,Z,CMAX,EN,INC,NPROCS,U)
IF (U<=threshold) THEN
S = S + 1.D0
ELSE
S = S + 0.D0
END IF
END DO
MATRIX(P) = (1.D0/1000)*S
END DO
DO I = 1,15
WRITE(1,*) MATRIX(I)
END DO
PRINT *,MINVAL(MATRIX)
PRINT *,MAXVAL(MATRIX)
CLOSE(1)
CALL MPI_FINALIZE(IERR)
END PROGRAM WAVE_2D_FP_TUNER_mpi
Here is the subroutine that I wish to parallelize with mpi.
SUBROUTINE SIMPLE_ROUTINE(T,PARAM,R,Z,CMAX,EN,INC,NPROCS,U)
! Outputs scalar U = T*Z*CMAX*INC*SUM(PARAM)*SUM(R)*SUM(Y)
USE MPI
IMPLICIT NONE
REAL(KIND=8), INTENT(IN) :: T,PARAM(1:3),R(1:6),Z,CMAX
INTEGER, INTENT(IN) :: EN,INC
INTEGER, INTENT(IN) :: NPROCS
REAL(KIND=8), INTENT(OUT) :: U
REAL(KIND=8) :: H,LOCAL_SUM,SUM_OF_X
REAL(KIND=8), DIMENSION(:), ALLOCATABLE :: X
INTEGER :: PX,PX_MAX,NXL,REMX,IX_OFF,P_LEFT,P_RIGHT
INTEGER :: J
INTEGER :: IERR,MYID
! Broadcast nprocs handle to all processes in MPRI_COMM_WORLD
CALL MPI_BCAST(&NPROCS, NPROCS, MPI_INT, 0, MPI_COMM_WORLD,IERR)
! Create subcommunicator SUBCOMM (Do not know how to define WORLD_GROUP?)
CALL MPI_COMM_SPLIT(MPI_COMM_WORLD,WORLD_GROUP,SUBCOMM,IERR)
! Assign IDs to processes in SUBCOMM
CALL MPI_COMM_RANK(SUBCOMM,MYID,IERR)
! Give NPROCS - 1 to SUBCOMM
CALL MPI_COMM_SIZE(SUBCOMM,NPROCS-1,IERR)
H = 2.D0/(EN-1)
! LABEL THE PROCESSES FROM 1 TO PX_MAX.
PX = MYID + 1
PX_MAX = NPROCS
! SPLIT UP THE GRID IN THE X-DIRECTION.
NXL = EN/PX_MAX !nxl = 10/3 = 3
REMX = EN-NXL*PX_MAX !remx = 10-3*3 = 1
IF (PX .LE. REMX) THEN !for px = 1,nxl = 3
NXL = NXL+1 !nxl = 4
IX_OFF = (PX-1)*NXL !ix_off = 0
ELSE
IX_OFF = REMX*(NXL+1)+(PX-(REMX+1))*NXL !for px = 2 and px = 3, ix_off = 1*(3+1)+(2-(1+1))*3 = 4, ix_off = 1*(3+1)+(3-(1+1))*3 = 7
END IF
! ALLOCATE MEMORY FOR VARIOUS ARRAYS.
ALLOCATE(X(0:NXL+1))
X(:) = (/(-1.D0+DBLE(J-1+IX_OFF)*H, J=1,EN)/)
LOCAL_SUM = SUM(X(1:NXL))
CALL MPI_REDUCE(LOCAL_SUM,SUM_OF_X,1,&
MPI_DOUBLE_PRECISION,MPI_SUM,&
0,MPI_COMM_WORLD,IERR)
U = T*Z*CMAX*INC*SUM(PARAM)*SUM(R)*SUM_OF_X
DEALLOCATE(X)
CALL MPI_COMM_FREE(SUBCOMM,IERR)
CALL MPI_BARRIER(MPI_COMM_WORLD,IERR)
END SUBROUTINE SIMPLE_ROUTINE
Ultimately, I want to be able to change the number of processors used in the subroutine, where I want nprocs to be calculated from the value of EN.
A simple approach is to start the MPI app with the maximum number of processes.
Then my_subroutine will first MPI_Bcast(&nprocs, ...) and MPI_COMM_SPLIT(MPI_COMM_WORLD, ..., &subcomm) in order to create a sub communicator subcomm with nprocs
(you can use MPI_UNDEFINED so the "other" communicator will be MPI_COMM_NULL.
Then the MPI tasks that are part of subcomm will perform the computation.
Finally, MPI_Comm_free(&subcomm) and MPI_Barrier(MPI_COMM_WORLD)
From a performance point of view, note sub-communicator creation can be expensive, but hopefully not significant compared to the computation time.
If not, you'd rather revamp your algorithm so it can have nprocs tasks do the job, and the other ones waiting.
An other approach would be to start your app with one MPI task, MPI_Comm_spawn() nprocs-1 tasks, merge the inter-communicator, perform the computation, and terminates the spawned tasks.
The overhead of task creation is way more important, and this might not be fully supported by your resource manager, so I would not advise this option.

Reading data from files using MPI in Fortran

I want to read data from some .dat files to a Fortran code for postprocessing. As a test case, I am just using one processor for MPI and trying to read single data file to my code. The content of the data file is as follows:
qout0050.dat : 1 1 1
However, the matrix (Vn in this case) which is supposed to store the content of this data file shows all 0 values. The relevant part of the code which reads from data file and store to the matrix is as follows:
subroutine postproc()
use precision_mod
use mpicomms_mod
implicit none
integer(kind=MPI_Offset_kind) :: i, j , igrid, k, l, disp, iproc, info, lwork
integer :: rst, numvar, ifile, number, num, step, ntot
integer :: Nx_max, Ny_max, Nz_max
integer :: Nxp, Nzp, Nyp, Ngrid
integer :: Ifirst, Ilast, Jfirst, Jlast, Kfirst, Klast
character*(64) :: fname, buffer, ffname
integer :: tmp, N1, N2, N3, tmpp
real(WP), allocatable :: qout(:,:,:,:), phi_xyz(:,:,:,:,:)
real(WP), allocatable :: Vn(:,:), Vntmp(:,:), TAU(:,:)
real(WP), allocatable :: Rprime(:,:), Rtmp(:,:), Rend(:,:), Q(:,:), tmpL(:), tmpG(:)
real(WP), allocatable :: s(:), vt(:,:), u(:,:), utmp(:,:)
real(WP), allocatable :: tmp1(:,:), tmp2(:,:), tmp3(:,:), phi(:,:)
integer, dimension(2) :: view
integer :: view1
integer, dimension(3) :: lsizes, gsizes, start
real(WP) :: tmpr
real(WP), allocatable :: work(:), mu(:), eigY(:,:), wr(:), wi(:), beta(:)
integer(kind=MPI_Offset_kind) :: SP_MOK, Nx_MOK, Ny_MOK, Nz_MOK, WP_MOK
open(unit=110,file='postparameters.dat',form="formatted")
read (110,*) Nx_max
read (110,*) Ny_max
read (110,*) Nz_max
read (110,*) numvar
read (110,*) step
close(110)
! Define the size of grid on each processor
if (mod(Nx_max,px).ne.0) then
write(*,*) 'Error in preproc: Nx_max is not devisable by px'
call MPI_ABORT(MPI_COMM_WORLD,0,ierr)
end if
Nxp = Nx_max/px
if (mod(Ny_max,py).ne.0) then
write(*,*) 'Error in preproc: Nx_max is not devisable by px'
call MPI_ABORT(MPI_COMM_WORLD,0,ierr)
end if
Nyp = Ny_max/py
if (mod(Nz_max,pz).ne.0) then
write(*,*) 'Error in preproc: Nx_max is not devisable by px'
call MPI_ABORT(MPI_COMM_WORLD,0,ierr)
end if
Nzp = Nz_max/pz
Ifirst = irank*Nxp + 1
Ilast = Ifirst + Nxp - 1
Jfirst = jrank*Nyp + 1
Jlast = Jfirst + Nyp - 1
Kfirst = krank*Nzp + 1
Klast = Kfirst + Nzp - 1
! Setting the view for phi
gsizes(1) = Nx_max
gsizes(2) = Ny_max
gsizes(3) = Nz_max
lsizes(1) = Nxp
lsizes(2) = Nyp
lsizes(3) = Nzp
start(1) = Ifirst - 1
start(2) = Jfirst - 1
start(3) = Kfirst - 1
call MPI_TYPE_CREATE_SUBARRAY(3,gsizes,lsizes,start,&
MPI_ORDER_FORTRAN,MPI_REAL_SP,view,ierr)
call MPI_TYPE_COMMIT(view,ierr)
call MPI_TYPE_CREATE_SUBARRAY(3,gsizes,lsizes,start,&
MPI_ORDER_FORTRAN,MPI_REAL_WP,view1,ierr)
call MPI_TYPE_COMMIT(view1,ierr)
WP_MOK = int(8, MPI_Offset_kind)
Nx_MOK = int(Nx_max, MPI_Offset_kind)
Ny_MOK = int(Ny_max, MPI_Offset_kind)
Nz_MOK = int(Nz_max, MPI_Offset_kind)
! Reading the qout file
ffname = 'qout'
allocate(qout(Nxp,Nyp,Nzp,numvar))
allocate(Vn(Nxp*Nyp*Nzp*numvar,step))
do rst = 1,step
if (myrank == 0) print*, 'Step = ', 50 + rst -1
write(buffer,"(i4.4)") 50 + rst -1
fname = trim(ffname)//trim(buffer)
fname = trim('ufs')//":"// trim(fname)
fname = trim(adjustl(fname))//'.dat'
call MPI_FILE_OPEN(MPI_COMM_WORLD,fname,MPI_MODE_RDONLY,MPI_INFO_NULL,ifile,ierr)
call MPI_FILE_READ(ifile,Ngrid,1,MPI_INTEGER,status,ierr)
if (1 /= Ngrid) then
if (myrank == 0 ) write(*,*) Ngrid
endif
call MPI_FILE_READ(ifile,tmp,1,MPI_INTEGER,status,ierr)
if (tmp /= Nx_max) write(*,*) tmp
call MPI_FILE_READ(ifile,tmp,1,MPI_INTEGER,status,ierr)
if (tmp /= Ny_max) write(*,*) tmp
call MPI_FILE_READ(ifile,tmp,1,MPI_INTEGER,status,ierr)
if (tmp /= Nz_max) write(*,*) tmp
call MPI_FILE_READ(ifile,tmpr,1,MPI_REAL_WP,status,ierr)
call MPI_FILE_READ(ifile,tmpr,1,MPI_REAL_WP,status,ierr)
call MPI_FILE_READ(ifile,tmpr,1,MPI_REAL_WP,status,ierr)
call MPI_FILE_READ(ifile,tmpr,1,MPI_REAL_WP,status,ierr)
do l=1,numvar
disp = 4*4 + 4*WP_MOK + Nx_MOK*Ny_MOK*Nz_MOK*WP_MOK*(l-1)
call MPI_FILE_SET_VIEW(ifile,disp,MPI_REAL_WP,view1,"native",MPI_INFO_NULL,ierr)
call MPI_FILE_READ_ALL(ifile,qout(1:Nxp,1:Nyp,1:Nzp,l),Nxp*Nzp*Nyp, MPI_REAL_WP,status,ierr)
end do
call MPI_FILE_CLOSE(ifile,ierr)
!-----------------------------------------------
! Bluiding the snapshot matrix Vn --------------
!-----------------------------------------------
do i=1,numvar
do k=1,Nzp
do j=1,Nyp
Vn((1 + Nxp*(j-1) + Nxp*Nyp*(k-1) + Nxp*Nyp*Nzp*(i-1)):(Nxp*j + Nxp*Nyp*(k-1) + Nxp*Nyp*Nzp*(i-1)),rst) = qout(1:Nxp,j,k,i)
end do
end do
end do
end do
call MPI_BARRIER(MPI_COMM_WORLD,ierr)
deallocate(qout)

Program received signal SIGSEGV: Segmentation fault - invalid memory reference?

I am doing a multiple integral, there is a parameter M_D which I can modify. Both M_D=2.9d3 or M_D=3.1d3 works fine, but when I change it into M_D=3.0d0 it got an error
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x7F831A103E08
#1 0x7F831A102F90
#2 0x7F83198344AF
#3 0x43587C in __mc_vegas_MOD_vegas
#4 0x400EBE in MAIN__ at MAINqq.f90:?
Segmentation fault (core dumped)
It's very unlikely there is a sigularity which out of range while progressing. From the answer to this kind of problem I found, I guess it's not about array dimension that is out of bounds.
This time I didn't make it to simplify the problem which can demonstrate my question in order to write less amount of code . It's unpractical to post all the code here, so I post the segment which I think is relevant to the error.
module my_fxn
implicit none
private
public :: fxn_1
public :: cos_theta
real(kind(0d0)), parameter :: S=1.690d8
real(kind(0d0)), parameter :: g_s = 0.118d0
real(kind(0d0)), parameter :: M_D = 3.0d3 !!!
real(kind(0d0)), parameter :: m=172d0
real(kind(0d0)), parameter :: Q=2d0
real(kind(0d0)), parameter :: pi=3.14159d0
real(kind(0d0)), external :: CT14pdf
real(kind(0d0)) :: cos_theta
real(kind(0d0)) :: s12
integer :: i
contains
function jacobian( upper, lower) result(jfactor)
implicit none
real(kind(0d0)), dimension(1:6) :: upper, lower
real(kind(0d0)) :: jfactor
jfactor = 1d0
do i = 1, 6
jfactor = jfactor * (upper(i) - lower(i))
end do
end function jacobian
function dot_vec(p,q) result(fourvectordot)
implicit none
real(kind(0d0)) :: fourvectordot
real(kind(0d0)), dimension(0:3) :: p,q
fourvectordot = p(0) * q(0)
do i = 1, 3
fourvectordot = fourvectordot - p(i) * q(i)
end do
end function dot_vec
subroutine commonpart(p3_0, p4_0, eta, k_v,P3_v, p4_v, s13, s14, s23, s24)
implicit none
real(kind(0d0)), intent(in) :: p3_0, p4_0, eta, k_v, p3_v, p4_v
real(kind(0d0)), intent(out):: s13, s14, s23, s24
real(kind(0d0)) :: sin_theta, &
cos_eta, sin_eta, &
cos_ksi, sin_ksi
real(kind(0d0)), dimension(0:3) :: k1, k2, p3, p4, k
sin_theta = sqrt(1-cos_theta**2)
cos_eta = cos(eta)
sin_eta = sqrt(1-cos_eta**2)
cos_ksi = (k_v**2-p3_v**2-p4_v**2)/(2*p3_v*p4_v)
sin_ksi = sqrt(1-cos_ksi**2)
k1 = [sqrt(s12)/2d0,0d0,0d0, sqrt(s12)/2d0]
k2 = [sqrt(s12)/2d0,0d0,0d0, -sqrt(s12)/2d0]
p3 = [p3_0, p3_v*(cos_theta*cos_eta*sin_ksi+sin_theta*cos_ksi), &
p3_v* sin_eta*sin_ksi, p3_v*( cos_theta*cos_ksi-sin_theta*cos_eta*sin_ksi)]
p4 = [p4_0, p4_v*sin_theta, 0d0, p4_v*cos_theta]
do i = 1, 3
k(i) = 0 - p3(i) - p4(i)
end do
k(0) = sqrt(s12) - p3_0-p4_0
s13 = m**2- 2*dot_vec(k1,p3)
s14 = m**2- 2*dot_vec(k1,p4)
s23 = m**2- 2*dot_vec(k2,p3)
s24 = m**2- 2*dot_vec(k2,p3)
end subroutine commonpart
function fxn_1(z, wgt) result(fxn_qq)
implicit none
real(kind(0d0)), dimension(1:6) :: z
real(kind(0d0)) :: wgt
real(kind(0d0)) :: tau_0
real(kind(0d0)) :: sigma, tau, m_plus, m_minus, & ! intermediate var
p3_v, p4_v, k_v, phi
real(kind(0d0)) :: s13,s14,s23, s24, gm
real(kind(0d0)) :: part1_qq,part_qq,fxn_qq
real(kind(0d0)) :: p3_0_max, p4_0_max, eta_max, gm_max, x1_max, x2_max, &
p3_0_min, p4_0_min, eta_min, gm_min, x1_min, x2_min
real(kind(0d0)), dimension(1:6) :: upper, lower
real(kind(0d0)) :: jfactor
wgt = 0
gm_max = M_D
gm_min = 0.1d0
z(1)= (gm_max-gm_min)*z(1) + gm_min
tau_0 = (2*m)**2/S
eta_max = 2*pi
eta_min = 0
z(2) = (eta_max-eta_min)*z(2)+eta_min
x1_max = 1
x1_min = tau_0
z(3) = (x1_max-x1_min)*z(3) + x1_min
x2_max = 1
x2_min = tau_0/z(3)
z(4) = (x2_max-x2_min)*z(4)+x2_min
s12 = z(3)*z(4) * S
if (sqrt(s12) < (2*m+z(1)))then
fxn_qq = 0d0
return
else
end if
p4_0_max = sqrt(s12)/2 - ((m+z(1))**2-m**2)/(2*sqrt(s12))
p4_0_min = m
z(5) = (p4_0_max-p4_0_min)*z(5)+p4_0_min
p4_v = sqrt(z(5)**2-m**2)
sigma = sqrt(s12)-z(5)
tau = sigma**2 - p4_v**2
m_plus = m + z(1)
m_minus = m - z(1)
p3_0_max = 1/(2*tau)*(sigma*(tau+m_plus*m_minus)+p4_v*sqrt((tau-m_plus**2)*(tau-m_minus**2)))
p3_0_min = 1/(2*tau)*(sigma*(tau+m_plus*m_minus)-p4_v-sqrt((tau-m_plus**2)*(tau-m_minus**2)))
z(6) = (p3_0_max-p3_0_min)*z(6)+p3_0_min
p3_v = sqrt(z(6)**2-m**2)
k_v = sqrt((sqrt(s12)-z(5)-z(6))**2-z(1)**2)
gm = z(1)
upper = [gm_max, eta_max, x1_max, x2_max, p4_0_max, p3_0_max]
lower = [gm_min, eta_min, x1_min, x2_min, p4_0_min, p3_0_min]
jfactor = jacobian(upper, lower)
call commonpart(z(6),z(5),z(2), k_v,p3_v, p4_v, s13, s14, s23, s24)
include "juicy.m"
part1_qq = 0d0
do i = 1, 5
part1_qq = part1_qq+CT14Pdf(i, z(3), Q)*CT14Pdf(-i, z(4), Q)*part_qq
end do
phi = 1/(8*(2*pi)**4) * 1/(2*s12)
fxn_qq = jfactor * g_s**4/M_D**5*pi*z(1)**2*phi*part1_qq
end function fxn_1
end module my_fxn
MC_VEGAS
MODULE MC_VEGAS
!*****************************************************************
! This module is a modification f95 version of VEGA_ALPHA.for
! by G.P. LEPAGE SEPT 1976/(REV)AUG 1979.
!*****************************************************************
IMPLICIT NONE
SAVE
INTEGER,PARAMETER :: MAX_SIZE=20 ! The max dimensions of the integrals
INTEGER,PRIVATE :: i_vegas
REAL(KIND(1d0)),DIMENSION(MAX_SIZE),PUBLIC:: XL=(/(0d0,i_vegas=1,MAX_SIZE)/),&
XU=(/(1d0,i_vegas=1,MAX_SIZE)/)
INTEGER,PUBLIC :: NCALL=50000,& ! The number of integrand evaluations per iteration
!+++++++++++++++++++++++++++++++++++++++++++++++++++++
! You can change NCALL to change the precision
!+++++++++++++++++++++++++++++++++++++++++++++++++++++
ITMX=5,& ! The maximum number of iterations
NPRN=5,& ! printed or not
NDEV=6,& ! device number for output
IT=0,& ! number of iterations completed
NDO=1,& ! number of subdivisions on an axis
NDMX=50,& ! determines the maximum number of increments along each axis
MDS=1 ! =0 use importance sampling only
! =\0 use importance sampling and stratified sampling
! increments are concentrated either wehre the
! integrand is largest in magnitude (MDS=1), or
! where the contribution to the error is largest(MDS=-1)
INTEGER,PUBLIC :: IINIP
REAL(KIND(1d0)),PUBLIC :: ACC=-1d0 ! Algorithm stops when the relative accuracy,
! |SD/AVGI|, is less than ACC; accuracy is not
! cheched when ACC<0
REAL(KIND(1d0)),PUBLIC :: MC_SI=0d0,& ! sum(AVGI_i/SD_i^2,i=1,IT)
SWGT=0d0,& ! sum(1/SD_i^2,i=1,IT)
SCHI=0d0,& ! sum(AVGI_i^2/SD_i^2,i=1,IT)
ALPH=1.5d0 ! controls the rate which the grid is modified from
! iteration to iteration; decreasing ALPH slows
! modification of the grid
! (ALPH=0 implies no modification)
REAL(KIND(1d0)),PUBLIC :: DSEED=1234567d0 ! seed of
! location of the I-th division on the J-th axi, normalized to lie between 0 and 1.
REAL(KIND(1d0)),DIMENSION(50,MAX_SIZE),PUBLIC::XI=1d0
REAL(KIND(1d0)),PUBLIC :: CALLS,TI,TSI
CONTAINS
SUBROUTINE RANDA(NR,R)
IMPLICIT NONE
INTEGER,INTENT(IN) :: NR
REAL(KIND(1d0)),DIMENSION(NR),INTENT(OUT) :: R
INTEGER :: I
! D2P31M=(2**31) - 1 D2P31 =(2**31)(OR AN ADJUSTED VALUE)
REAL(KIND(1d0))::D2P31M=2147483647.d0,D2P31=2147483711.d0
!FIRST EXECUTABLE STATEMENT
DO I=1,NR
DSEED = DMOD(16807.d0*DSEED,D2P31M)
R(I) = DSEED / D2P31
ENDDO
END SUBROUTINE RANDA
SUBROUTINE VEGAS(NDIM,FXN,AVGI,SD,CHI2A,INIT)
!***************************************************************
! SUBROUTINE PERFORMS NDIM-DIMENSIONAL MONTE CARLO INTEG'N
! - BY G.P. LEPAGE SEPT 1976/(REV)AUG 1979
! - ALGORITHM DESCRIBED IN J COMP PHYS 27,192(1978)
!***************************************************************
! Without INIT or INIT=0, CALL VEGAS
! INIT=1 CALL VEGAS1
! INIT=2 CALL VEGAS2
! INIT=3 CALL VEGAS3
!***************************************************************
IMPLICIT NONE
INTEGER,INTENT(IN) :: NDIM
REAL(KIND(1d0)),EXTERNAL :: FXN
INTEGER,INTENT(IN),OPTIONAL :: INIT
REAL(KIND(1d0)),INTENT(INOUT) :: AVGI,SD,CHI2A
REAL(KIND(1d0)),DIMENSION(50,MAX_SIZE):: D,DI
REAL(KIND(1d0)),DIMENSION(50) :: XIN,R
REAL(KIND(1d0)),DIMENSION(MAX_SIZE) :: DX,X,DT,RAND
INTEGER,DIMENSION(MAX_SIZE) :: IA,KG
INTEGER :: initflag
REAL(KIND(1d0)),PARAMETER :: ONE=1.d0
INTEGER :: I, J, K, NPG, NG, ND, NDM, LABEL = 0
REAL(KIND(1d0)) :: DXG, DV2G, XND, XJAC, RC, XN, DR, XO, TI2, WGT, FB, F2B, F, F2
!***************************
!SAVE AVGI,SD,CHI2A
!SQRT(A)=DSQRT(A)
!ALOG(A)=DLOG(A)
!ABS(A)=DABS(A)
!***************************
IF(PRESENT(INIT))THEN
initflag=INIT
ELSE
initflag=0
ENDIF
! INIT=0 - INITIALIZES CUMULATIVE VARIABLES AND GRID
ini0:IF(initflag.LT.1) THEN
NDO=1
DO J=1,NDIM
XI(1,J)=ONE
ENDDO
ENDIF ini0
! INIT=1 - INITIALIZES CUMULATIVE VARIABLES, BUT NOT GRID
ini1:IF(initflag.LT.2) THEN
IT=0
MC_SI=0.d0
SWGT=MC_SI
SCHI=MC_SI
ENDIF ini1
! INIT=2 - NO INITIALIZATION
ini2:IF(initflag.LE.2)THEN
ND=NDMX
NG=1
IF(MDS.NE.0) THEN
NG=(NCALL/2.d0)**(1.d0/NDIM)
MDS=1
IF((2*NG-NDMX).GE.0) THEN
MDS=-1
NPG=NG/NDMX+1
ND=NG/NPG
NG=NPG*ND
ENDIF
ENDIF
K=NG**NDIM ! K sub volumes
NPG=NCALL/K ! The number of random numbers in per sub volumes Ms
IF(NPG.LT.2) NPG=2
CALLS=DBLE(NPG*K) ! The total number of random numbers M
DXG=ONE/NG
DV2G=(CALLS*DXG**NDIM)**2/NPG/NPG/(NPG-ONE) ! 1/(Ms-1)
XND=ND ! ~NDMX!
! determines the number of increments along each axis
NDM=ND-1 ! ~NDMX-1
DXG=DXG*XND ! determines the number of increments along each axis per sub-v
XJAC=ONE/CALLS
DO J=1,NDIM
DX(J)=XU(J)-XL(J)
XJAC=XJAC*DX(J) ! XJAC=Volume/M
ENDDO
! REBIN, PRESERVING BIN DENSITY
IF(ND.NE.NDO) THEN
RC=NDO/XND ! XND=ND
outer:DO J=1, NDIM ! Set the new division
K=0
XN=0.d0
DR=XN
I=K
LABEL=0
inner5:DO
IF(LABEL.EQ.0) THEN
inner4:DO
K=K+1
DR=DR+ONE
XO=XN
XN=XI(K,J)
IF(RC.LE.DR) EXIT
ENDDO inner4
ENDIF
I=I+1
DR=DR-RC
XIN(I)=XN-(XN-XO)*DR
IF(I.GE.NDM) THEN
EXIT
ELSEIF(RC.LE.DR) THEN
LABEL=1
ELSE
LABEL=0
ENDIF
ENDDO inner5
inner:DO I=1,NDM
XI(I,J)=XIN(I)
ENDDO inner
XI(ND,J)=ONE
ENDDO outer
NDO=ND
ENDIF
IF(NPRN.GE.0) WRITE(NDEV,200) NDIM,CALLS,IT,ITMX,ACC,NPRN,&
ALPH,MDS,ND,(XL(J),XU(J),J=1,NDIM)
ENDIF ini2
!ENTRY VEGAS3(NDIM,FXN,AVGI,SD,CHI2A) INIT=3 - MAIN INTEGRATION LOOP
mainloop:DO
IT=IT+1
TI=0.d0
TSI=TI
DO J=1,NDIM
KG(J)=1
DO I=1,ND
D(I,J)=TI
DI(I,J)=TI
ENDDO
ENDDO
LABEL=0
level1:DO
level2:DO
ifla:IF(LABEL.EQ.0)THEN
FB=0.d0
F2B=FB
level3:DO K=1,NPG
CALL RANDA(NDIM,RAND)
WGT=XJAC
DO J=1,NDIM
XN=(KG(J)-RAND(J))*DXG+ONE
IA(J)=XN
IF(IA(J).LE.1) THEN
XO=XI(IA(J),J)
RC=(XN-IA(J))*XO
ELSE
XO=XI(IA(J),J)-XI(IA(J)-1,J)
RC=XI(IA(J)-1,J)+(XN-IA(J))*XO
ENDIF
X(J)=XL(J)+RC*DX(J)
WGT=WGT*XO*XND
ENDDO
F=WGT
F=F*FXN(X,WGT)
F2=F*F
FB=FB+F
F2B=F2B+F2
DO J=1,NDIM
DI(IA(J),J)=DI(IA(J),J)+F
IF(MDS.GE.0) D(IA(J),J)=D(IA(J),J)+F2
ENDDO
ENDDO level3
! K=K-1 !K=NPG
F2B=DSQRT(F2B*DBLE(NPG))
F2B=(F2B-FB)*(F2B+FB)
TI=TI+FB
TSI=TSI+F2B
IF(MDS.LT.0) THEN
DO J=1,NDIM
D(IA(J),J)=D(IA(J),J)+F2B
ENDDO
ENDIF
K=NDIM
ENDIF ifla
KG(K)=MOD(KG(K),NG)+1
IF(KG(K).EQ.1) THEN
EXIT
ELSE
LABEL=0
ENDIF
ENDDO level2
K=K-1
IF(K.GT.0) THEN
LABEL=1
ELSE
EXIT
ENDIF
ENDDO level1
! COMPUTE FINAL RESULTS FOR THIS ITERATION
TSI=TSI*DV2G
TI2=TI*TI
WGT=ONE/TSI
MC_SI=MC_SI+TI*WGT
SWGT=SWGT+WGT
SCHI=SCHI+TI2*WGT
AVGI=MC_SI/SWGT
CHI2A=(SCHI-MC_SI*AVGI)/(IT-0.9999d0)
SD=DSQRT(ONE/SWGT)
IF(NPRN.GE.0) THEN
TSI=DSQRT(TSI)
WRITE(NDEV,201) IT,TI,TSI,AVGI,SD,CHI2A
ENDIF
IF(NPRN.GT.0) THEN
DO J=1,NDIM
WRITE(NDEV,202) J,(XI(I,J),DI(I,J),I=1+NPRN/2,ND,NPRN)
ENDDO
ENDIF
!*************************************************************************************
! REFINE GRID
! XI(k,j)=XI(k,j)-(XI(k,j)-XI(k-1,j))*(sum(R(i),i=1,k)-s*sum(R(i),i=1,ND)/M)/R(k)
! divides the original k-th interval into s parts
!*************************************************************************************
outer2:DO J=1,NDIM
XO=D(1,J)
XN=D(2,J)
D(1,J)=(XO+XN)/2.d0
DT(J)=D(1,J)
inner2:DO I=2,NDM
D(I,J)=XO+XN
XO=XN
XN=D(I+1,J)
D(I,J)=(D(I,J)+XN)/3.d0
DT(J)=DT(J)+D(I,J)
ENDDO inner2
D(ND,J)=(XN+XO)/2.d0
DT(J)=DT(J)+D(ND,J)
ENDDO outer2
le1:DO J=1,NDIM
RC=0.d0
DO I=1,ND
R(I)=0.d0
IF(D(I,J).GT.0.) THEN
XO=DT(J)/D(I,J)
R(I)=((XO-ONE)/XO/DLOG(XO))**ALPH
ENDIF
RC=RC+R(I)
ENDDO
RC=RC/XND
K=0
XN=0.d0
DR=XN
I=K
LABEL=0
le2:DO
le3:DO
IF(LABEL.EQ.0)THEN
K=K+1
DR=DR+R(K)
XO=XN
XN=XI(K,J)
ENDIF
IF(RC.LE.DR) THEN
EXIT
ELSE
LABEL=0
ENDIF
ENDDO le3
I=I+1
DR=DR-RC
XIN(I)=XN-(XN-XO)*DR/R(K)
IF(I.GE.NDM) THEN
EXIT
ELSE
LABEL=1
ENDIF
ENDDO le2
DO I=1,NDM
XI(I,J)=XIN(I)
ENDDO
XI(ND,J)=ONE
ENDDO le1
IF(IT.GE.ITMX.OR.ACC*ABS(AVGI).GE.SD) EXIT
ENDDO mainloop
200 FORMAT(/," INPUT PARAMETERS FOR MC_VEGAS: ",/," NDIM=",I3," NCALL=",F8.0,&
" IT=",I3,/," ITMX=",I3," ACC= ",G9.3,&
" NPRN=",I3,/," ALPH=",F5.2," MDS=",I3," ND=",I4,/,&
"(XL,XU)=",(T10,"(" G12.6,",",G12.6 ")"))
201 FORMAT(/," INTEGRATION BY MC_VEGAS ", " ITERATION NO. ",I3, /,&
" INTEGRAL = ",G14.8, /," SQURE DEV = ",G10.4,/,&
" ACCUMULATED RESULTS: INTEGRAL = ",G14.8,/,&
" DEV = ",G10.4, /," CHI**2 PER IT'N = ",G10.4)
! X is the division of the coordinate
! DELTA I is the sum of F in this interval
202 FORMAT(/,"DATA FOR AXIS ",I2,/," X DELTA I ", &
24H X DELTA I ,18H X DELTA I, &
/(1H ,F7.6,1X,G11.4,5X,F7.6,1X,G11.4,5X,F7.6,1X,G11.4))
END SUBROUTINE VEGAS
END MODULE MC_VEGAS
Main.f90
program main
use my_fxn
use MC_VEGAS
implicit none
integer, parameter :: NDIM = 6
real(kind(0d0)) :: avgi, sd, chi2a
Character(len=40) :: Tablefile
data Tablefile/'CT14LL.pds'/
Call SetCT14(Tablefile)
call vegas(NDIM,fxn_1,avgi,sd,chi2a)
print *, avgi
end program main
After running build.sh
#!/bin/sh
rm -rf *.mod
rm -rf *.o
rm -rf ./calc
rm DATAqq.txt
gfortran -c CT14Pdf.for
gfortran -c FXNqq.f90
gfortran -c MC_VEGAS.f90
gfortran -c MAINqq.f90
gfortran -g -fbacktrace -fcheck=all -Wall -o calc MAINqq.o CT14Pdf.o FXNqq.o MC_VEGAS.o
./calc
rm -rf *.mod
rm -rf *.o
rm -rf ./calc
The whole output has not changed
rm: cannot remove 'DATAqq.txt': No such file or directory
INPUT PARAMETERS FOR MC_VEGAS:
NDIM= 6 NCALL= 46875. IT= 0
ITMX= 5 ACC= -1.00 NPRN= 5
ALPH= 1.50 MDS= 1 ND= 50
(XL,XU)= ( 0.00000 , 1.00000 )
( 0.00000 , 1.00000 )
( 0.00000 , 1.00000 )
( 0.00000 , 1.00000 )
( 0.00000 , 1.00000 )
( 0.00000 , 1.00000 )
INTEGRATION BY MC_VEGAS ITERATION NO. 1
INTEGRAL = NaN
SQURE DEV = NaN
ACCUMULATED RESULTS: INTEGRAL = NaN
DEV = NaN
CHI**2 PER IT'N = NaN
DATA FOR AXIS 1
X DELTA I X DELTA I X DELTA I
.060000 0.2431E-14 .160000 0.5475E-15 .260000 0.8216E-14
.360000 0.3641E-14 .460000 0.6229E-12 .560000 0.6692E-13
.660000 0.9681E-15 .760000 0.9121E-15 .860000 0.2753E-13
.960000 -0.9269E-16
DATA FOR AXIS 2
X DELTA I X DELTA I X DELTA I
.060000 0.1658E-13 .160000 0.5011E-14 .260000 0.8006E-12
.360000 0.1135E-14 .460000 0.9218E-13 .560000 0.7337E-15
.660000 0.6192E-12 .760000 0.3676E-14 .860000 0.2315E-14
.960000 0.5426E-13
DATA FOR AXIS 3
X DELTA I X DELTA I X DELTA I
.060000 0.3197E-14 .160000 0.1096E-12 .260000 0.5996E-14
.360000 0.5695E-13 .460000 0.3240E-14 .560000 0.5504E-13
.660000 0.9276E-15 .760000 0.6193E-12 .860000 0.1151E-13
.960000 0.7968E-17
DATA FOR AXIS 4
X DELTA I X DELTA I X DELTA I
.060000 0.3605E-13 .160000 0.1656E-14 .260000 0.7266E-12
.360000 0.2149E-13 .460000 0.8086E-13 .560000 0.9119E-14
.660000 0.3692E-15 .760000 0.6499E-15 .860000 0.1906E-17
.960000 0.1542E-19
DATA FOR AXIS 5
X DELTA I X DELTA I X DELTA I
.060000 -0.4229E-15 .160000 -0.4056E-14 .260000 -0.1121E-14
.360000 0.6757E-15 .460000 0.7460E-14 .560000 0.9331E-15
.660000 0.8301E-14 .760000 0.6595E-14 .860000 -0.5203E-11
.960000 0.6361E-12
DATA FOR AXIS 6
X DELTA I X DELTA I X DELTA I
.060000 0.2111E-12 .160000 0.5410E-13 .260000 0.1418E-12
.360000 0.1103E-13 .460000 0.8338E-14 .560000 -0.5840E-14
.660000 0.1263E-14 .760000 -0.1501E-15 .860000 0.4647E-14
.960000 0.3134E-15
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x7F9D828B0E08
#1 0x7F9D828AFF90
#2 0x7F9D81FE24AF
#3 0x43586C in __mc_vegas_MOD_vegas
#4 0x400EAE in MAIN__ at MAINqq.f90:?
Segmentation fault (core dumped)