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removed merdge - buffer size = 8192

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This commit is contained in:
Yann Garniron 2015-12-30 11:35:06 +01:00
parent e207c1d51a
commit d48ff4c00e
2 changed files with 6 additions and 6 deletions
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6
plugins/Perturbation/perturbation.template.f
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@ -104,9 +104,9 @@ subroutine perturb_buffer_$PERT(i_generator,buffer,buffer_size,e_2_pert_buffer,c
if(N_microlist(smallerlist) > 0) then
! microlist(:,:,N_microlist(0)+1:N_microlist(0)+N_microlist(smallerlist),0) = microlist(:,:,1:N_microlist(smallerlist),smallerlist)
! idx_microlist(N_microlist(0)+1:N_microlist(0)+N_microlist(smallerlist),0) = idx_microlist(1:N_microlist(smallerlist),smallerlist)
call merdge(microlist(:,:,:,smallerlist), idx_microlist(:,smallerlist), N_microlist(smallerlist), microlist(:,:,:,0), idx_microlist(:,0), N_microlist(0))
microlist(:,:,N_microlist(0)+1:N_microlist(0)+N_microlist(smallerlist),0) = microlist(:,:,1:N_microlist(smallerlist),smallerlist)
idx_microlist(N_microlist(0)+1:N_microlist(0)+N_microlist(smallerlist),0) = idx_microlist(1:N_microlist(smallerlist),smallerlist)
! call merdge(microlist(:,:,:,smallerlist), idx_microlist(:,smallerlist), N_microlist(smallerlist), microlist(:,:,:,0), idx_microlist(:,0), N_microlist(0))
end if
!if (N_minilist > 23 .and. N_minilist < 500) print *, "***************", N_det_selectors, N_minilist, N_microlist(0), N_microlist(smallerlist), buffer_size
! call pt2_$PERT(psi_det_generators(1,1,i_generator),buffer(1,1,i), fock_diag_tmp, &

6
scripts/generate_h_apply.py
View File

@ -99,7 +99,7 @@ class H_apply(object):
deallocate(H_jj,iorder)
"""
s["size_max"] = "2048"
s["size_max"] = "8192"
s["copy_buffer"] = """call copy_H_apply_buffer_to_wf
if (s2_eig) then
call make_s2_eigenfunction
@ -198,7 +198,7 @@ class H_apply(object):
!$ call omp_unset_lock(lck)
deallocate (e_2_pert_buffer, coef_pert_buffer)
"""
self.data["size_max"] = "2048"
self.data["size_max"] = "8192"
self.data["initialization"] = """
PROVIDE psi_selectors_coef psi_selectors E_corr_per_selectors psi_det_sorted_bit
"""
@ -265,7 +265,7 @@ class H_apply(object):
double precision, intent(inout) :: select_max_out"""
self.data["params_post"] += ", select_max(min(i_generator,size(select_max,1)))"
self.data["size_max"] = "2048"
self.data["size_max"] = "8192"
self.data["copy_buffer"] = """
call copy_H_apply_buffer_to_wf
if (s2_eig) then