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Restore Davidson task size

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This commit is contained in:
Anthony Scemama 2021-01-24 11:22:03 +01:00
parent a441497098
commit 6553b53d1d
3 changed files with 7 additions and 2 deletions
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4
src/davidson/davidson_parallel.irp.f
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@ -428,7 +428,7 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze)
integer :: istep, imin, imax, ishift, ipos integer :: istep, imin, imax, ishift, ipos
integer, external :: add_task_to_taskserver integer, external :: add_task_to_taskserver
integer, parameter :: tasksize=100000 integer, parameter :: tasksize=10000
character*(100000) :: task character*(100000) :: task
istep=1 istep=1
ishift=0 ishift=0
@ -441,7 +441,7 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze)
if (imin==1) then if (imin==1) then
istep = 2 istep = 2
else else
istep = 2 istep = 1
endif endif
do ishift=0,istep-1 do ishift=0,istep-1
write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|' write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|'

1
src/determinants/configurations.irp.f
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@ -42,6 +42,7 @@ subroutine configuration_to_dets_size(o,sze,n_alpha,Nint)
amax -= popcnt( o(k,2) ) amax -= popcnt( o(k,2) )
enddo enddo
if (binom_int(bmax, amax) > huge(1)) then if (binom_int(bmax, amax) > huge(1)) then
print *, bmax, amax
print *, irp_here, ': Too many determinants to generate' print *, irp_here, ': Too many determinants to generate'
stop 1 stop 1
endif endif

4
src/two_body_rdm/example.irp.f
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@ -284,3 +284,7 @@ subroutine routine_full_mos
print*,'wee_tot_st_av_3 = ',wee_tot_st_av_3 print*,'wee_tot_st_av_3 = ',wee_tot_st_av_3
end end
program test
call routine_active_only
end