diff --git a/src/mp2_grad/mp2_back_transform.F b/src/mp2_grad/mp2_back_transform.F index 77d6cd2157..1d69db43a5 100644 --- a/src/mp2_grad/mp2_back_transform.F +++ b/src/mp2_grad/mp2_back_transform.F @@ -55,7 +55,8 @@ c integer l_c_t, k_c_t integer l_act, k_act, l_actsh, k_actsh integer twopdmunit - integer junk, ninseg, ierr, i, j, ish, ishlo, ishhi, shmax, tdim + integer junk(2), ninseg, ierr, i, j, ish, ishlo, ishhi, shmax, + t tdim integer nsh, natoms, nactive, nblock c integer k_scr, l_scr, k_lab, l_lab, k_eri, l_eri, leneri, lenscr @@ -475,7 +476,7 @@ c end do ! End of a call ga_sync() if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) - $ mp2cpybck=.false. + $ mp2cpybck=.true. if(mp2cpybck) then call mp2_copyback(g_buf,g_buf_trans) @@ -1158,27 +1159,12 @@ c check for boundaries of buff() write(6,*) ga_nodeid(),' i_1.gt.ihi ',i_1,ihi call errquit(' mp2copybck: i boundary passed ',0,0) endif -#if 0 - call ga_get(g_a_trans,i_0,i_1, - A jlo,jhi,buff(i_0,jlo),i_ld) -#else call ga_get(g_a_trans,i_0,i_1, A jlo,jhi,buff,i_ld) call ga_put(g_a, i_0, i_1, jlo, jhi, buff, i_ld) -#endif enddo endif c everybody needs to have the buffer filled call ga_sync() -cold if(dowork) call ga_put(g_a, ilo, ihi, jlo, jhi, buff, ihi-ilo+1) - call ga_sync() -#if 0 - call ga_sync() - tr=ga_ddot(g_a,g_a) - tr_tr=ga_ddot(g_a_trans,g_a_trans) - if(abs(tr-tr_tr).gt.1d-6)then - if(ga_nodeid().eq.0)write(6,*) 'tr ',tr,' tr_tr ',tr_tr - endif -#endif return end