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Merge branch 'master' of github.com:scemama/quantum_package

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This commit is contained in:
Anthony Scemama 2017-05-05 16:11:24 +02:00
commit 4cfe1cbefc
2 changed files with 32 additions and 34 deletions
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2
plugins/Full_CI/jmmrpt2.irp.f
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@ -14,7 +14,6 @@ program pouet
threshold_generators = threshold_generators_pt2
threshold_selectors = threshold_selectors_pt2
SOFT_TOUCH threshold_generators threshold_selectors
call diagonalize_CI
call H_apply_FCI_PT2_new(pt2, norm_pert, H_pert_diag, N_st)
print *, 'Final step'
@ -25,7 +24,6 @@ program pouet
print *, 'E+PT2 = ', CI_energy(1:N_states)+pt2(1:N_states)
print *, '-----'
call ezfio_set_full_ci_energy_pt2(CI_energy(1)+pt2(1))
call save_wavefunction
deallocate(pt2,norm_pert)
end

64
src/ZMQ/utils.irp.f
View File

@ -180,25 +180,25 @@ function new_zmq_pair_socket(bind)
endif
! rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_SNDHWM, 1, 4)
! if (rc /= 0) then
! stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_SNDHWM, 1, 4)'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_RCVHWM, 1, 4)
! if (rc /= 0) then
! stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_RCVHWM, 1, 4)'
! endif
rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_SNDHWM, 4, 4)
if (rc /= 0) then
stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_SNDHWM, 4, 4)'
endif
rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_RCVHWM, 4, 4)
if (rc /= 0) then
stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_RCVHWM, 4, 4)'
endif
rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_IMMEDIATE, 1, 4)
if (rc /= 0) then
stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_IMMEDIATE, 1, 4)'
endif
! rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_LINGER, 600000, 4)
! if (rc /= 0) then
! stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_LINGER, 60000, 4)'
! endif
rc = f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_LINGER, 600000, 4)
if (rc /= 0) then
stop 'f77_zmq_setsockopt(new_zmq_pair_socket, ZMQ_LINGER, 60000, 4)'
endif
if (bind) then
rc = f77_zmq_bind(new_zmq_pair_socket,zmq_socket_pair_inproc_address)
@ -244,15 +244,15 @@ function new_zmq_pull_socket()
! stop 'Unable to set ZMQ_LINGER on pull socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVBUF,100000000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_RCVBUF on pull socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,1,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_RCVHWM on pull socket'
! endif
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVBUF,100000000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_RCVBUF on pull socket'
endif
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,4,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_RCVHWM on pull socket'
endif
integer :: icount
@ -320,16 +320,16 @@ function new_zmq_push_socket(thread)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_LINGER on push socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,1,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_SNDHWM on push socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDBUF,100000000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_RCVBUF on push socket'
! endif
rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,4,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_SNDHWM on push socket'
endif
rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDBUF,100000000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_SNDBUF on push socket'
endif
rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_IMMEDIATE,1,4)
if (rc /= 0) then