From edf3a27534e531a1866eac30202bf26ca305123a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 29 Jul 2024 16:15:48 +0200 Subject: [PATCH] rank_max --- src/ao_two_e_ints/cholesky.irp.f | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/ao_two_e_ints/cholesky.irp.f b/src/ao_two_e_ints/cholesky.irp.f index bfa6bd0a..ccaa7239 100644 --- a/src/ao_two_e_ints/cholesky.irp.f +++ b/src/ao_two_e_ints/cholesky.irp.f @@ -174,8 +174,11 @@ END_PROVIDER np = int(np8,4) if (np <= 0) stop 'np<=0' -! rank_max = min(np,20*elec_num*elec_num) rank_max = np + ! Avoid too large arrays when there are many electrons + if (elec_num > 10) then + rank_max = min(np,20*elec_num*elec_num) + endif call mmap(trim(ezfio_work_dir)//'cholesky_ao_tmp', (/ ndim8, rank_max /), 8, fd(1), .False., .True., c_pointer(1)) call c_f_pointer(c_pointer(1), L, (/ ndim8, rank_max /))