mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-16 17:35:42 +02:00
Removed critical regions
This commit is contained in:
parent
f00f11830e
commit
28cac78c05
@ -248,13 +248,13 @@ class H_apply(object):
|
|||||||
"""
|
"""
|
||||||
|
|
||||||
self.data["deinit_thread"] = """
|
self.data["deinit_thread"] = """
|
||||||
!$OMP CRITICAL
|
! OMP CRITICAL
|
||||||
do k=1,N_st
|
do k=1,N_st
|
||||||
sum_e_2_pert_in(k) = sum_e_2_pert_in(k) + sum_e_2_pert(k)
|
sum_e_2_pert_in(k) = sum_e_2_pert_in(k) + sum_e_2_pert(k)
|
||||||
sum_norm_pert_in(k) = sum_norm_pert_in(k) + sum_norm_pert(k)
|
sum_norm_pert_in(k) = sum_norm_pert_in(k) + sum_norm_pert(k)
|
||||||
sum_H_pert_diag_in(k) = sum_H_pert_diag_in(k) + sum_H_pert_diag(k)
|
sum_H_pert_diag_in(k) = sum_H_pert_diag_in(k) + sum_H_pert_diag(k)
|
||||||
enddo
|
enddo
|
||||||
!$OMP END CRITICAL
|
! OMP END CRITICAL
|
||||||
deallocate (e_2_pert_buffer, coef_pert_buffer)
|
deallocate (e_2_pert_buffer, coef_pert_buffer)
|
||||||
"""
|
"""
|
||||||
self.data["size_max"] = "8192"
|
self.data["size_max"] = "8192"
|
||||||
@ -356,12 +356,12 @@ class H_apply(object):
|
|||||||
self.data["skip"] = """
|
self.data["skip"] = """
|
||||||
if (i_generator < size_select_max) then
|
if (i_generator < size_select_max) then
|
||||||
if (select_max(i_generator) < selection_criterion_min*selection_criterion_factor) then
|
if (select_max(i_generator) < selection_criterion_min*selection_criterion_factor) then
|
||||||
!$OMP CRITICAL
|
! OMP CRITICAL
|
||||||
do k=1,N_st
|
do k=1,N_st
|
||||||
norm_psi(k) = norm_psi(k) + psi_coef_generators(i_generator,k)*psi_coef_generators(i_generator,k)
|
norm_psi(k) = norm_psi(k) + psi_coef_generators(i_generator,k)*psi_coef_generators(i_generator,k)
|
||||||
pt2_old(k) = 0.d0
|
pt2_old(k) = 0.d0
|
||||||
enddo
|
enddo
|
||||||
!$OMP END CRITICAL
|
! OMP END CRITICAL
|
||||||
cycle
|
cycle
|
||||||
endif
|
endif
|
||||||
select_max(i_generator) = 0.d0
|
select_max(i_generator) = 0.d0
|
||||||
|
Loading…
Reference in New Issue
Block a user