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Trying to improve mmap performance

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This commit is contained in:
Anthony Scemama 2024-06-06 13:53:30 +02:00
parent 36a2f0b46f
commit 2241096a64
16 changed files with 37 additions and 37 deletions
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4
src/ao_two_e_ints/cholesky.irp.f
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@ -88,7 +88,7 @@ END_PROVIDER
call resident_memory(mem0)
rank_max = min(ndim8,274877906944_8/1_8/ndim8)
call mmap(trim(ezfio_work_dir)//'cholesky_ao_tmp', (/ ndim8, rank_max /), 8, fd(1), .False., c_pointer(1))
call mmap(trim(ezfio_work_dir)//'cholesky_ao_tmp', (/ ndim8, rank_max /), 8, fd(1), .False., .True., c_pointer(1))
call c_f_pointer(c_pointer(1), L, (/ ndim8, rank_max /))
! Deleting the file while it is open makes the file invisible on the filesystem,
! and automatically deleted, even if the program crashes
@ -237,7 +237,7 @@ END_PROVIDER
+ (np+nq)*memory_of_double(block_size) ! Ltmp_p(np,block_size) + Ltmp_q(nq,block_size)
if (mem > qp_max_mem) then
call mmap(trim(ezfio_work_dir)//'cholesky_delta', (/ np*1_8, nq*1_8 /), 8, fd(2), .False., c_pointer(2))
call mmap(trim(ezfio_work_dir)//'cholesky_delta', (/ np*1_8, nq*1_8 /), 8, fd(2), .False., .True., c_pointer(2))
call c_f_pointer(c_pointer(2), Delta, (/ np, nq /))
! Deleting the file while it is open makes the file invisible on the filesystem,
! and automatically deleted, even if the program crashes

1
src/dav_general_mat/dav_diag_dressed_ext_rout.irp.f
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@ -1,6 +1,5 @@
subroutine davidson_general_ext_rout_diag_dressed(u_in,H_jj,Dress_jj,energies,sze,N_st,N_st_diag_in,converged,hcalc)
use mmap_module
implicit none
BEGIN_DOC
! Generic Davidson diagonalization with ONE DIAGONAL DRESSING OPERATOR

2
src/dav_general_mat/dav_diag_dressed_ext_rout_nonsym_B1space.irp.f
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@ -3,8 +3,6 @@
subroutine davidson_general_diag_dressed_ext_rout_nonsym_b1space(u_in, H_jj, Dress_jj,energies, sze, N_st, N_st_diag_in, converged, hcalc)
use mmap_module
BEGIN_DOC
! Generic modified-Davidson diagonalization
!

1
src/dav_general_mat/dav_double_dress_ext_rout.irp.f
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@ -1,5 +1,4 @@
subroutine dav_double_dressed(u_in,H_jj,Dress_jj,Dressing_vec,idx_dress,energies,sze,N_st,N_st_diag,converged,hcalc)
use mmap_module
BEGIN_DOC
! Generic Davidson diagonalization with TWO DRESSING VECTORS
!

1
src/dav_general_mat/dav_dressed_ext_rout.irp.f
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@ -1,5 +1,4 @@
subroutine davidson_general_ext_rout_dressed(u_in,H_jj,energies,sze,N_st,N_st_diag,dressing_state,dressing_vec,idress,converged,hcalc)
use mmap_module
implicit none
BEGIN_DOC
! Davidson diagonalization.

1
src/dav_general_mat/dav_ext_rout.irp.f
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@ -1,6 +1,5 @@
subroutine davidson_general_ext_rout(u_in,H_jj,energies,sze,N_st,N_st_diag_in,converged,hcalc)
use mmap_module
implicit none
BEGIN_DOC
! Generic Davidson diagonalization

2
src/dav_general_mat/dav_ext_rout_nonsym_B1space.irp.f
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@ -3,8 +3,6 @@
subroutine davidson_general_ext_rout_nonsym_b1space(u_in, H_jj, energies, sze, N_st, N_st_diag_in, converged, hcalc)
use mmap_module
BEGIN_DOC
! Generic modified-Davidson diagonalization
!

6
src/dav_general_mat/dav_general.irp.f
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@ -1,6 +1,6 @@
subroutine davidson_general(u_in,H_jj,energies,dim_in,sze,N_st,N_st_diag_in,converged,h_mat)
use mmap_module
! use mmap_module
implicit none
BEGIN_DOC
! Davidson diagonalization with specific diagonal elements of the H matrix
@ -160,9 +160,9 @@ subroutine davidson_general(u_in,H_jj,energies,dim_in,sze,N_st,N_st_diag_in,conv
! type(c_ptr) :: ptr_w, ptr_s
! integer :: fd_s, fd_w
! call mmap(trim(ezfio_work_dir)//'davidson_w', (/int(sze,8),int(N_st_diag*itermax,8)/),&
! 8, fd_w, .False., ptr_w)
! 8, fd_w, .False., .True., ptr_w)
! call mmap(trim(ezfio_work_dir)//'davidson_s', (/int(sze,8),int(N_st_diag*itermax,8)/),&
! 4, fd_s, .False., ptr_s)
! 4, fd_s, .False., .True., ptr_s)
! call c_f_pointer(ptr_w, w, (/sze,N_st_diag*itermax/))
! call c_f_pointer(ptr_s, s, (/sze,N_st_diag*itermax/))
! else

2
src/davidson/diagonalization_h_dressed.irp.f
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@ -228,7 +228,7 @@ subroutine davidson_diag_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,N_st,N_st_dia
type(c_ptr) :: ptr_w, ptr_s
integer :: fd_s, fd_w
call mmap(trim(ezfio_work_dir)//'davidson_w', (/int(sze,8),int(N_st_diag*itermax,8)/),&
8, fd_w, .False., ptr_w)
8, fd_w, .False., .True., ptr_w)
call c_f_pointer(ptr_w, w, (/sze,N_st_diag*itermax/))
else
allocate(W(sze,N_st_diag*itermax))

2
src/davidson/diagonalization_hcsf_dressed.irp.f
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@ -229,7 +229,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
type(c_ptr) :: ptr_w, ptr_s
integer :: fd_s, fd_w
call mmap(trim(ezfio_work_dir)//'davidson_w', (/int(sze,8),int(N_st_diag*itermax,8)/),&
8, fd_w, .False., ptr_w)
8, fd_w, .False., .True., ptr_w)
call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/))
else
allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax))

4
src/davidson/diagonalization_hs2_dressed.irp.f
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@ -270,9 +270,9 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
type(c_ptr) :: ptr_w, ptr_s
integer :: fd_s, fd_w
call mmap(trim(ezfio_work_dir)//'davidson_w', (/int(sze,8),int(N_st_diag*itermax,8)/),&
8, fd_w, .False., ptr_w)
8, fd_w, .False., .True., ptr_w)
call mmap(trim(ezfio_work_dir)//'davidson_s', (/int(sze,8),int(N_st_diag*itermax,8)/),&
4, fd_s, .False., ptr_s)
4, fd_s, .False., .True., ptr_s)
call c_f_pointer(ptr_w, w, (/sze,N_st_diag*itermax/))
call c_f_pointer(ptr_s, s, (/sze,N_st_diag*itermax/))
else

2
src/davidson/diagonalization_nonsym_h_dressed.irp.f
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@ -251,7 +251,7 @@ subroutine davidson_diag_nonsym_hjj(dets_in, u_in, H_jj, energies, dim_in, sze,
type(c_ptr) :: ptr_w, ptr_s
integer :: fd_s, fd_w
call mmap(trim(ezfio_work_dir)//'davidson_w', (/int(sze,8),int(N_st_diag*itermax,8)/),&
8, fd_w, .False., ptr_w)
8, fd_w, .False., .True., ptr_w)
call c_f_pointer(ptr_w, w, (/sze,N_st_diag*itermax/))
else
allocate(W(sze,N_st_diag*itermax))

11
src/utils/fortran_mmap.c
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@ -7,7 +7,7 @@
#include <sys/mman.h>
void* mmap_fortran(char* filename, size_t bytes, int* file_descr, int read_only)
void* mmap_fortran(char* filename, size_t bytes, int* file_descr, int read_only, int single_node)
{
int fd;
int result;
@ -21,7 +21,7 @@ void* mmap_fortran(char* filename, size_t bytes, int* file_descr, int read_only)
perror("Error opening mmap file for reading");
exit(EXIT_FAILURE);
}
map = mmap(NULL, bytes, PROT_READ, MAP_SHARED, fd, 0);
map = mmap(NULL, bytes, PROT_READ, MAP_PRIVATE, fd, 0);
}
else
{
@ -48,7 +48,12 @@ void* mmap_fortran(char* filename, size_t bytes, int* file_descr, int read_only)
exit(EXIT_FAILURE);
}
map = mmap(NULL, bytes, PROT_READ | PROT_WRITE, MAP_SHARED, fd, 0);
if (single_node == 1) {
map = mmap(NULL, bytes, PROT_READ | PROT_WRITE,
MAP_PRIVATE | MAP_HUGETLB , fd, 0);
} else {
map = mmap(NULL, bytes, PROT_READ | PROT_WRITE, MAP_SHARED | MAP_HUGETLB, fd, 0);
}
}
if (map == MAP_FAILED) {

12
src/utils/map_functions.irp.f
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@ -21,13 +21,13 @@ subroutine map_save_to_disk(filename,map)
stop 'map already consolidated'
endif
call mmap(trim(filename)//'_consolidated_idx', (/ map % map_size + 2_8 /), 8, fd(1), .False., c_pointer(1))
call mmap(trim(filename)//'_consolidated_idx', (/ map % map_size + 2_8 /), 8, fd(1), .False., .False., c_pointer(1))
call c_f_pointer(c_pointer(1),map % consolidated_idx, (/ map % map_size +2_8/))
call mmap(trim(filename)//'_consolidated_key', (/ n_elements /), cache_key_kind, fd(2), .False., c_pointer(2))
call mmap(trim(filename)//'_consolidated_key', (/ n_elements /), cache_key_kind, fd(2), .False., .False., c_pointer(2))
call c_f_pointer(c_pointer(2),map % consolidated_key, (/ n_elements /))
call mmap(trim(filename)//'_consolidated_value', (/ n_elements /), integral_kind, fd(3), .False., c_pointer(3))
call mmap(trim(filename)//'_consolidated_value', (/ n_elements /), integral_kind, fd(3), .False., .False., c_pointer(3))
call c_f_pointer(c_pointer(3),map % consolidated_value, (/ n_elements /))
if (.not.associated(map%consolidated_key)) then
@ -85,15 +85,15 @@ subroutine map_load_from_disk(filename,map)
stop 'map already consolidated'
endif
call mmap(trim(filename)//'_consolidated_idx', (/ map % map_size + 2_8 /), 8, fd(1), .True., c_pointer(1))
call mmap(trim(filename)//'_consolidated_idx', (/ map % map_size + 2_8 /), 8, fd(1), .True., .False., c_pointer(1))
call c_f_pointer(c_pointer(1),map % consolidated_idx, (/ map % map_size + 2_8/))
map% n_elements = map % consolidated_idx (map % map_size+2_8)-1_8
call mmap(trim(filename)//'_consolidated_key', (/ map % n_elements /), cache_key_kind, fd(2), .True., c_pointer(2))
call mmap(trim(filename)//'_consolidated_key', (/ map % n_elements /), cache_key_kind, fd(2), .True., .False., c_pointer(2))
call c_f_pointer(c_pointer(2),map % consolidated_key, (/ map % n_elements /))
call mmap(trim(filename)//'_consolidated_value', (/ map % n_elements /), integral_kind, fd(3), .True., c_pointer(3))
call mmap(trim(filename)//'_consolidated_value', (/ map % n_elements /), integral_kind, fd(3), .True., .False., c_pointer(3))
call c_f_pointer(c_pointer(3),map % consolidated_value, (/ map % n_elements /))
l = 0_8

2
src/utils/memory.irp.f
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@ -6,7 +6,7 @@ BEGIN_PROVIDER [ integer, qp_max_mem ]
character*(128) :: env
integer, external :: get_total_available_memory
qp_max_mem = get_total_available_memory()
qp_max_mem = max(get_total_available_memory() - 1,3)
call write_int(6,qp_max_mem,'Total available memory (GB)')
call getenv('QP_MAXMEM',env)
if (trim(env) /= '') then

19
src/utils/mmap.f90
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@ -7,12 +7,13 @@ module mmap_module
! File descriptors
! ----------------
type(c_ptr) function c_mmap_fortran(filename, length, fd, read_only) bind(c,name='mmap_fortran')
type(c_ptr) function c_mmap_fortran(filename, length, fd, read_only, single_node) bind(c,name='mmap_fortran')
use iso_c_binding
character(c_char), intent(in) :: filename(*)
integer(c_size_t), intent(in), value :: length
integer(c_int), intent(out) :: fd
integer(c_int), intent(in), value :: read_only
integer(c_int), intent(in), value :: single_node
end function
subroutine c_munmap_fortran(length, fd, map) bind(c,name='munmap_fortran')
@ -33,31 +34,33 @@ module mmap_module
contains
subroutine mmap(filename, shape, bytes, fd, read_only, map)
subroutine mmap(filename, shape, bytes, fd, read_only, single_node, map)
use iso_c_binding
implicit none
character*(*), intent(in) :: filename ! Name of the mapped file
integer*8, intent(in) :: shape(:) ! Shape of the array to map
integer, intent(in) :: bytes ! Number of bytes per element
logical, intent(in) :: read_only ! If true, mmap is read-only
logical, intent(in) :: single_node! If true, mmap is on a single node
integer, intent(out) :: fd ! File descriptor
type(c_ptr), intent(out) :: map ! C Pointer
integer(c_size_t) :: length
integer(c_int) :: fd_
integer :: i
integer :: i, read_only_, single_node_
read_only_ = 0
single_node_ = 0
if (read_only_) read_only_ = 1
if (single_node_) single_node_ = 1
length = int(bytes,8)
do i=1,size(shape)
length = length * shape(i)
enddo
if (read_only) then
map = c_mmap_fortran( trim(filename)//char(0), length, fd_, 1)
else
map = c_mmap_fortran( trim(filename)//char(0), length, fd_, 0)
endif
map = c_mmap_fortran( trim(filename)//char(0), length, fd_, read_only, single_node)
fd = fd_
end subroutine