diff --git a/src/ccsd/aoccsd2.F b/src/ccsd/aoccsd2.F index 82649cfa6d..d1c2651c1d 100644 --- a/src/ccsd/aoccsd2.F +++ b/src/ccsd/aoccsd2.F @@ -123,6 +123,7 @@ c gradient integer memlimit integer MSG_MIN_LOCAL_MEM parameter(MSG_MIN_LOCAL_MEM=1971) + integer nkpass0 external ccsd_createg Logical Do_Z,ccsd_createg #ifdef USE_F90INTERFACE @@ -757,8 +758,12 @@ c we can hack the mem available (in MB) call ga_igop(msg_cc_mem, mem_avail, 1, 'min') c nvpass = 1 + if (.not.rtdb_get(rtdb,'ccsd:nkpass',mt_int,1,nkpass0)) + & nkpass0=1 + if (.not.rtdb_get(rtdb,'ccsd:nvpass',mt_int,1,nvpass)) + & nvpass=1 c - 7651 nkpass = 1 + 7651 nkpass = nkpass0 7652 kchunk = (nocc - 1)/nkpass + 1 vchunk = (nvir - 1)/nvpass + 1 c