From ba3641f45d49082d0a0fa2c262020ea32cf1429d Mon Sep 17 00:00:00 2001 From: Robert Harrison Date: Sat, 7 Mar 1998 01:31:41 +0000 Subject: [PATCH] fix memory alloc problem for uhf --- src/mp2_grad/mp2_grad_doit.F | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/src/mp2_grad/mp2_grad_doit.F b/src/mp2_grad/mp2_grad_doit.F index cd3aa9eadc..3913d4a3d5 100644 --- a/src/mp2_grad/mp2_grad_doit.F +++ b/src/mp2_grad/mp2_grad_doit.F @@ -14,7 +14,7 @@ $ g_wai_a,g_wai_b,g_lai_a,g_lai_b, $ grad,scftype) * -* $Id: mp2_grad_doit.F,v 1.38 1997-10-15 19:20:24 d3g681 Exp $ +* $Id: mp2_grad_doit.F,v 1.39 1998-03-07 01:31:41 d3g681 Exp $ * implicit none #include "global.fh" @@ -338,10 +338,12 @@ c... Form the terms in the Lagrangian which are not Fock builds: c c (logic assumes noa_frozen=nob_frozen, noa>=nob, nva<=nvb) c - if(.not.ma_push_get(mt_dbl, max(nvb,nob_frozen)*nvb, + if(.not.ma_push_get(mt_dbl, + $ max(max(nva,noa_frozen)*nva,max(nvb,nob_frozen)*nvb), $ 'vvvo',l_vvvo,k_vvvo)) $ call errquit('mp2_grad: could not alloc vvvo',1) - if(.not.ma_push_get(mt_dbl, max(noa,noa_frozen)*noa, + if(.not.ma_push_get(mt_dbl, + $ max(max(noa,noa_frozen)*noa,max(nob,nob_frozen)*nob), $ 'vooo',l_vooo,k_vooo)) $ call errquit('mp2_grad: could not alloc vooo',1) c