diff --git a/src/mo_two_e_ints/mo_bi_integrals.irp.f b/src/mo_two_e_ints/mo_bi_integrals.irp.f index ae728943..411d2d4e 100644 --- a/src/mo_two_e_ints/mo_bi_integrals.irp.f +++ b/src/mo_two_e_ints/mo_bi_integrals.irp.f @@ -247,7 +247,7 @@ subroutine add_integrals_to_map(mask_ijkl) call wall_time(wall_1) - size_buffer = min( (qp_max_mem/(nproc*5)),mo_num*mo_num*mo_num) + size_buffer = min(mo_num*mo_num*mo_num,8000000) print*, 'Buffers : ', 8.*(mo_num*(n_j)*(n_k+1) + mo_num+& ao_num+ao_num*ao_num+ size_buffer*3)/(1024*1024), 'MB / core'