diff --git a/config/ifort_mpi.cfg b/config/ifort_mpi.cfg index 735ffb68..f179dac6 100644 --- a/config/ifort_mpi.cfg +++ b/config/ifort_mpi.cfg @@ -31,8 +31,8 @@ OPENMP : 1 ; Append OpenMP flags # -ftz : Flushes denormal results to zero # [OPT] -FCFLAGS : -xAVX -O2 -ip -ftz -g -traceback - +FCFLAGS : -xSSE4.2 -O2 -ip -ftz -g -traceback +# !xAVX # Profiling flags ################# # diff --git a/plugins/mrcepa0/mrcc_slave.irp.f b/plugins/mrcepa0/mrcc_slave.irp.f index 655536ff..6feb5877 100644 --- a/plugins/mrcepa0/mrcc_slave.irp.f +++ b/plugins/mrcepa0/mrcc_slave.irp.f @@ -38,19 +38,16 @@ subroutine run_wf zmq_to_qp_run_socket = new_zmq_to_qp_run_socket() do - call wait_for_states(states,zmq_state,1) - - if(trim(zmq_state) == 'Stopped') then + if(zmq_state(1:7) == 'Stopped') then exit - else if (trim(zmq_state) == 'mrcc') then + else if (zmq_state(1:4) == 'mrcc') then ! Selection ! --------- - print *, 'mrcc' !call wall_time(t0) if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle diff --git a/plugins/mrcepa0/mrcc_stoch_routines.irp.f b/plugins/mrcepa0/mrcc_stoch_routines.irp.f index 7e68f53f..e83dfe15 100644 --- a/plugins/mrcepa0/mrcc_stoch_routines.irp.f +++ b/plugins/mrcepa0/mrcc_stoch_routines.irp.f @@ -209,7 +209,6 @@ subroutine mrcc_collector(zmq_socket_pull, E, relative_error, delta, delta_s2, m old_cur_cp = 0 pullLoop : do while (more == 1) call pull_mrcc_results(zmq_socket_pull, Nindex, ind, mrcc_mwen, delta_loc, task_id, ntask) - if(Nindex /= 1) stop "tried pull multiple Nindex" do i=1,Nindex diff --git a/plugins/mrcepa0/run_mrcc_slave.irp.f b/plugins/mrcepa0/run_mrcc_slave.irp.f index 3b3cfe44..523ad538 100644 --- a/plugins/mrcepa0/run_mrcc_slave.irp.f +++ b/plugins/mrcepa0/run_mrcc_slave.irp.f @@ -41,7 +41,6 @@ subroutine run_mrcc_slave(thread,iproc,energy) integer :: h,p,n logical :: ok double precision :: contrib(N_states) - allocate(delta_ij_loc(N_states,N_det_non_ref,2) & ,delta_ii_loc(N_states,2))! & !,delta_ij_s2_loc(N_states,N_det_non_ref,N_det_ref) & @@ -73,7 +72,7 @@ subroutine run_mrcc_slave(thread,iproc,energy) else integer :: i_generator, i_i_generator, subset read (task,*) subset, ind - + print *, "SLAVE RECEIVED", ind ! if(buf%N == 0) then ! ! Only first time ! call create_selection_buffer(1, 2, buf)