mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-09-01 05:33:40 +02:00
Compare commits
4 Commits
3967b197fa
...
edd2276b75
Author | SHA1 | Date | |
---|---|---|---|
edd2276b75 | |||
1120d572fa | |||
a6c95879de | |||
3763767f77 |
@ -148,7 +148,7 @@ subroutine run_pt2_slave_small(thread,iproc,energy)
|
|||||||
integer, external :: disconnect_from_taskserver
|
integer, external :: disconnect_from_taskserver
|
||||||
do i=1,300
|
do i=1,300
|
||||||
if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) /= -2) exit
|
if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) /= -2) exit
|
||||||
call sleep(1)
|
call usleep(500)
|
||||||
print *, 'Retry disconnect...'
|
print *, 'Retry disconnect...'
|
||||||
end do
|
end do
|
||||||
|
|
||||||
|
@ -74,7 +74,7 @@ subroutine run_selection_slave(thread,iproc,energy)
|
|||||||
if(done .or. ctask == size(task_id)) then
|
if(done .or. ctask == size(task_id)) then
|
||||||
do i=1, ctask
|
do i=1, ctask
|
||||||
if (task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i)) == -1) then
|
if (task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i)) == -1) then
|
||||||
call sleep(1)
|
call usleep(100)
|
||||||
if (task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i)) == -1) then
|
if (task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i)) == -1) then
|
||||||
ctask = 0
|
ctask = 0
|
||||||
done = .true.
|
done = .true.
|
||||||
@ -85,6 +85,7 @@ subroutine run_selection_slave(thread,iproc,energy)
|
|||||||
if(ctask > 0) then
|
if(ctask > 0) then
|
||||||
call sort_selection_buffer(buf)
|
call sort_selection_buffer(buf)
|
||||||
! call merge_selection_buffers(buf,buf2)
|
! call merge_selection_buffers(buf,buf2)
|
||||||
|
print *, task_id(1), pt2(1), buf%cur, ctask
|
||||||
call push_selection_results(zmq_socket_push, pt2, variance, norm, buf, task_id(1), ctask)
|
call push_selection_results(zmq_socket_push, pt2, variance, norm, buf, task_id(1), ctask)
|
||||||
! buf%mini = buf2%mini
|
! buf%mini = buf2%mini
|
||||||
pt2(:) = 0d0
|
pt2(:) = 0d0
|
||||||
@ -132,7 +133,6 @@ subroutine push_selection_results(zmq_socket_push, pt2, variance, norm, b, task_
|
|||||||
print *, 'f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)'
|
print *, 'f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)'
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (b%cur > 0) then
|
|
||||||
|
|
||||||
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)
|
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states, ZMQ_SNDMORE)
|
||||||
if(rc /= 8*N_states) then
|
if(rc /= 8*N_states) then
|
||||||
@ -149,6 +149,8 @@ subroutine push_selection_results(zmq_socket_push, pt2, variance, norm, b, task_
|
|||||||
print *, 'f77_zmq_send( zmq_socket_push, norm, 8*N_states, ZMQ_SNDMORE)'
|
print *, 'f77_zmq_send( zmq_socket_push, norm, 8*N_states, ZMQ_SNDMORE)'
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
if (b%cur > 0) then
|
||||||
|
|
||||||
rc = f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)
|
rc = f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)
|
||||||
if(rc /= 8*b%cur) then
|
if(rc /= 8*b%cur) then
|
||||||
print *, 'f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)'
|
print *, 'f77_zmq_send( zmq_socket_push, b%val(1), 8*b%cur, ZMQ_SNDMORE)'
|
||||||
@ -203,7 +205,10 @@ subroutine pull_selection_results(zmq_socket_pull, pt2, variance, norm, val, det
|
|||||||
print *, 'f77_zmq_recv( zmq_socket_pull, N, 4, 0)'
|
print *, 'f77_zmq_recv( zmq_socket_pull, N, 4, 0)'
|
||||||
endif
|
endif
|
||||||
|
|
||||||
if (N>0) then
|
pt2(:) = 0.d0
|
||||||
|
variance(:) = 0.d0
|
||||||
|
norm(:) = 0.d0
|
||||||
|
|
||||||
rc = f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)
|
rc = f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)
|
||||||
if(rc /= 8*N_states) then
|
if(rc /= 8*N_states) then
|
||||||
print *, 'f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)'
|
print *, 'f77_zmq_recv( zmq_socket_pull, pt2, N_states*8, 0)'
|
||||||
@ -219,6 +224,7 @@ subroutine pull_selection_results(zmq_socket_pull, pt2, variance, norm, val, det
|
|||||||
print *, 'f77_zmq_recv( zmq_socket_pull, norm, N_states*8, 0)'
|
print *, 'f77_zmq_recv( zmq_socket_pull, norm, N_states*8, 0)'
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
if (N>0) then
|
||||||
rc = f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)
|
rc = f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)
|
||||||
if(rc /= 8*N) then
|
if(rc /= 8*N) then
|
||||||
print *, 'f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)'
|
print *, 'f77_zmq_recv( zmq_socket_pull, val(1), 8*N, 0)'
|
||||||
@ -228,10 +234,6 @@ subroutine pull_selection_results(zmq_socket_pull, pt2, variance, norm, val, det
|
|||||||
if(rc /= bit_kind*N_int*2*N) then
|
if(rc /= bit_kind*N_int*2*N) then
|
||||||
print *, 'f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)'
|
print *, 'f77_zmq_recv( zmq_socket_pull, det(1,1,1), bit_kind*N_int*2*N, 0)'
|
||||||
endif
|
endif
|
||||||
else
|
|
||||||
pt2(:) = 0.d0
|
|
||||||
variance(:) = 0.d0
|
|
||||||
norm(:) = 0.d0
|
|
||||||
endif
|
endif
|
||||||
|
|
||||||
rc = f77_zmq_recv( zmq_socket_pull, ntask, 4, 0)
|
rc = f77_zmq_recv( zmq_socket_pull, ntask, 4, 0)
|
||||||
|
@ -63,7 +63,7 @@ subroutine run_slave_main
|
|||||||
if (mpi_master) then
|
if (mpi_master) then
|
||||||
call wait_for_states(states,zmq_state,size(states))
|
call wait_for_states(states,zmq_state,size(states))
|
||||||
if (zmq_state(1:64) == old_state(1:64)) then
|
if (zmq_state(1:64) == old_state(1:64)) then
|
||||||
call sleep(1)
|
call usleep(200)
|
||||||
cycle
|
cycle
|
||||||
else
|
else
|
||||||
old_state(1:64) = zmq_state(1:64)
|
old_state(1:64) = zmq_state(1:64)
|
||||||
|
@ -39,6 +39,8 @@ BEGIN_PROVIDER [ character*(128), ezfio_filename ]
|
|||||||
write(command,*) 'echo 15 > /proc//'//trim(adjustl(pidc))//'/oom_adj'
|
write(command,*) 'echo 15 > /proc//'//trim(adjustl(pidc))//'/oom_adj'
|
||||||
call system(command)
|
call system(command)
|
||||||
|
|
||||||
|
PROVIDE file_lock
|
||||||
|
|
||||||
END_PROVIDER
|
END_PROVIDER
|
||||||
|
|
||||||
BEGIN_PROVIDER [ character*(128), ezfio_work_dir ]
|
BEGIN_PROVIDER [ character*(128), ezfio_work_dir ]
|
||||||
|
@ -43,8 +43,13 @@ subroutine run
|
|||||||
E_CI_before(:) = psi_energy(:) + nuclear_repulsion
|
E_CI_before(:) = psi_energy(:) + nuclear_repulsion
|
||||||
relative_error=PT2_relative_error
|
relative_error=PT2_relative_error
|
||||||
|
|
||||||
|
if (do_pt2) then
|
||||||
call ZMQ_pt2(psi_energy_with_nucl_rep,pt2,relative_error,error, variance, &
|
call ZMQ_pt2(psi_energy_with_nucl_rep,pt2,relative_error,error, variance, &
|
||||||
norm,0) ! Stochastic PT2
|
norm,0) ! Stochastic PT2
|
||||||
|
else
|
||||||
|
call ZMQ_selection(0, pt2, variance, norm)
|
||||||
|
endif
|
||||||
|
|
||||||
do k=1,N_states
|
do k=1,N_states
|
||||||
rpt2(k) = pt2(k)/(1.d0 + norm(k))
|
rpt2(k) = pt2(k)/(1.d0 + norm(k))
|
||||||
enddo
|
enddo
|
||||||
|
6
src/utils/c_funcs.c
Normal file
6
src/utils/c_funcs.c
Normal file
@ -0,0 +1,6 @@
|
|||||||
|
#include <unistd.h>
|
||||||
|
|
||||||
|
void usleep_c(int s)
|
||||||
|
{
|
||||||
|
usleep((useconds_t) s);
|
||||||
|
}
|
21
src/utils/c_functions.f90
Normal file
21
src/utils/c_functions.f90
Normal file
@ -0,0 +1,21 @@
|
|||||||
|
module c_functions
|
||||||
|
use iso_c_binding
|
||||||
|
|
||||||
|
interface
|
||||||
|
subroutine usleep_c(us) bind (C,name="usleep_c")
|
||||||
|
use iso_c_binding
|
||||||
|
integer(c_int), value :: us
|
||||||
|
end subroutine usleep_c
|
||||||
|
end interface
|
||||||
|
|
||||||
|
end module
|
||||||
|
|
||||||
|
subroutine usleep(us)
|
||||||
|
use c_functions
|
||||||
|
use iso_c_binding
|
||||||
|
implicit none
|
||||||
|
integer, intent(in) :: us
|
||||||
|
integer(c_int) :: u
|
||||||
|
u = us
|
||||||
|
call usleep_c(u)
|
||||||
|
end
|
@ -15,6 +15,7 @@ BEGIN_PROVIDER [ integer, qp_max_mem ]
|
|||||||
END_PROVIDER
|
END_PROVIDER
|
||||||
|
|
||||||
subroutine resident_memory(value)
|
subroutine resident_memory(value)
|
||||||
|
use c_functions
|
||||||
implicit none
|
implicit none
|
||||||
BEGIN_DOC
|
BEGIN_DOC
|
||||||
! Returns the current used memory in gigabytes used by the current process.
|
! Returns the current used memory in gigabytes used by the current process.
|
||||||
@ -25,6 +26,8 @@ subroutine resident_memory(value)
|
|||||||
double precision, intent(out) :: value
|
double precision, intent(out) :: value
|
||||||
|
|
||||||
call omp_set_lock(file_lock)
|
call omp_set_lock(file_lock)
|
||||||
|
call usleep(10)
|
||||||
|
|
||||||
value = 0.d0
|
value = 0.d0
|
||||||
iunit = getUnitAndOpen('/proc/self/status','r')
|
iunit = getUnitAndOpen('/proc/self/status','r')
|
||||||
do
|
do
|
||||||
|
@ -275,7 +275,6 @@ IRP_ENDIF
|
|||||||
rc = f77_zmq_bind(new_zmq_pull_socket, zmq_socket_pull_tcp_address)
|
rc = f77_zmq_bind(new_zmq_pull_socket, zmq_socket_pull_tcp_address)
|
||||||
if (rc /= 0) then
|
if (rc /= 0) then
|
||||||
icount = icount-1
|
icount = icount-1
|
||||||
! call sleep(3)
|
|
||||||
zmq_socket_pull_tcp_address = 'tcp://*:'//zmq_port(2+icount*100)//' '
|
zmq_socket_pull_tcp_address = 'tcp://*:'//zmq_port(2+icount*100)//' '
|
||||||
zmq_socket_push_tcp_address = trim(qp_run_address)//':'//zmq_port(2+icount*100)//' '
|
zmq_socket_push_tcp_address = trim(qp_run_address)//':'//zmq_port(2+icount*100)//' '
|
||||||
else
|
else
|
||||||
@ -301,7 +300,6 @@ function new_zmq_push_socket(thread)
|
|||||||
END_DOC
|
END_DOC
|
||||||
integer, intent(in) :: thread
|
integer, intent(in) :: thread
|
||||||
integer :: rc
|
integer :: rc
|
||||||
character*(8), external :: zmq_port
|
|
||||||
integer(ZMQ_PTR) :: new_zmq_push_socket
|
integer(ZMQ_PTR) :: new_zmq_push_socket
|
||||||
|
|
||||||
call omp_set_lock(zmq_lock)
|
call omp_set_lock(zmq_lock)
|
||||||
@ -425,7 +423,6 @@ subroutine end_zmq_pair_socket(zmq_socket_pair)
|
|||||||
END_DOC
|
END_DOC
|
||||||
integer(ZMQ_PTR), intent(in) :: zmq_socket_pair
|
integer(ZMQ_PTR), intent(in) :: zmq_socket_pair
|
||||||
integer :: rc
|
integer :: rc
|
||||||
character*(8), external :: zmq_port
|
|
||||||
|
|
||||||
call omp_set_lock(zmq_lock)
|
call omp_set_lock(zmq_lock)
|
||||||
rc = f77_zmq_close(zmq_socket_pair)
|
rc = f77_zmq_close(zmq_socket_pair)
|
||||||
@ -445,7 +442,6 @@ subroutine end_zmq_pull_socket(zmq_socket_pull)
|
|||||||
END_DOC
|
END_DOC
|
||||||
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
|
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
|
||||||
integer :: rc
|
integer :: rc
|
||||||
character*(8), external :: zmq_port
|
|
||||||
|
|
||||||
! rc = f77_zmq_setsockopt(zmq_socket_pull,ZMQ_LINGER,0,4)
|
! rc = f77_zmq_setsockopt(zmq_socket_pull,ZMQ_LINGER,0,4)
|
||||||
! if (rc /= 0) then
|
! if (rc /= 0) then
|
||||||
@ -472,7 +468,6 @@ subroutine end_zmq_push_socket(zmq_socket_push,thread)
|
|||||||
integer, intent(in) :: thread
|
integer, intent(in) :: thread
|
||||||
integer(ZMQ_PTR), intent(in) :: zmq_socket_push
|
integer(ZMQ_PTR), intent(in) :: zmq_socket_push
|
||||||
integer :: rc
|
integer :: rc
|
||||||
character*(8), external :: zmq_port
|
|
||||||
|
|
||||||
rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,300000,4)
|
rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,300000,4)
|
||||||
if (rc /= 0) then
|
if (rc /= 0) then
|
||||||
@ -756,6 +751,8 @@ integer function add_task_to_taskserver(zmq_to_qp_run_socket,task)
|
|||||||
|
|
||||||
add_task_to_taskserver = 0
|
add_task_to_taskserver = 0
|
||||||
|
|
||||||
|
sze = len(trim(task)) + len(trim(zmq_state))+11
|
||||||
|
allocate(character(len=sze) :: message)
|
||||||
message='add_task '//trim(zmq_state)//' '//trim(task)
|
message='add_task '//trim(zmq_state)//' '//trim(task)
|
||||||
sze = len(message)
|
sze = len(message)
|
||||||
rc = f77_zmq_send(zmq_to_qp_run_socket, message, sze, 0)
|
rc = f77_zmq_send(zmq_to_qp_run_socket, message, sze, 0)
|
||||||
@ -771,6 +768,7 @@ integer function add_task_to_taskserver(zmq_to_qp_run_socket,task)
|
|||||||
add_task_to_taskserver = -1
|
add_task_to_taskserver = -1
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
|
deallocate(message)
|
||||||
|
|
||||||
end
|
end
|
||||||
|
|
||||||
@ -1032,7 +1030,6 @@ subroutine end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|||||||
! Terminate the socket from the application to qp_run
|
! Terminate the socket from the application to qp_run
|
||||||
END_DOC
|
END_DOC
|
||||||
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
|
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
|
||||||
character*(8), external :: zmq_port
|
|
||||||
integer :: rc
|
integer :: rc
|
||||||
|
|
||||||
rc = f77_zmq_setsockopt(zmq_to_qp_run_socket,ZMQ_LINGER,300000,4)
|
rc = f77_zmq_setsockopt(zmq_to_qp_run_socket,ZMQ_LINGER,300000,4)
|
||||||
|
Loading…
Reference in New Issue
Block a user