Commit fb226fe5 authored by sponce's avatar sponce

Correction of a bug in the case etf_mem 2 and serial compilation.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13673 c92efa57-630b-4861-b058-cf58834340f0
parent 66dbcd9b
......@@ -1476,6 +1476,8 @@
DO irq = 1, nrr_q
CALL davcio ( epmatwp(:,:,:,:,irq), lrepmatw, iunepmatwp, irq, -1 )
ENDDO
!
CLOSE(iunepmatwp)
ENDIF
!
CALL mp_bcast (epmatwp, ionode_id, inter_pool_comm)
......@@ -1485,7 +1487,6 @@
!
CALL mp_barrier(inter_pool_comm)
IF (mpime.eq.ionode_id) THEN
CLOSE(iunepmatwp)
CLOSE(epwdata)
CLOSE(iundmedata)
IF (vme) CLOSE(iunvmedata)
......
......@@ -538,9 +538,9 @@
&'Error: kmaps has to be true for a restart run. ',1)
IF ( etf_mem == 2 .AND. parallel_q) CALL errore('epw_init',&
&'Error: Memory optimized version and q-parallelization not implemented. ',1)
#ifndef __MPI
IF ( etf_mem == 2 ) CALL errore('epw_init','Error: etf_mem == 2 only works with MPI.',1)
#endif
!#ifndef __MPI
! IF ( etf_mem == 2 ) CALL errore('epw_init','Error: etf_mem == 2 only works with MPI.',1)
!#endif
!
! thickness and smearing width of the Fermi surface
! from eV to Ryd
......
......@@ -354,7 +354,8 @@
! SP: From Eq. 16 of PRB 9, 4733 (1974)
! Also in Eq.2 of PRL 119, 017001 (2017).
a_all(iw,iq) = a_all(iw,iq) + ((2*wq)**2) * abs( gammai_all(imode,iq,iw) ) / pi / &
( ( ww**2 - wq**2 - 2 * wq * ( gammar_all (imode,iq,iw) + gamma0 (imode) ) )**two + (2 * wq * gammai_all(imode,iq,iw) )**two )
( ( ww**2 - wq**2 - 2 * wq * ( gammar_all (imode,iq,iw) + gamma0 (imode) ) )**two +&
(2 * wq * gammai_all(imode,iq,iw) )**two )
!
IF (mpime.eq.ionode_id) THEN
WRITE(iospectral_sup,'(2i9,2x,f12.5,2x,f12.5,2x,E22.14,2x,E22.14,2x,E22.14)') iq,&
......
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