Commit c0796d19 authored by Daniel Wortmann's avatar Daniel Wortmann

Bugfixes in MPI version

parent 466c3608
...@@ -169,7 +169,7 @@ CONTAINS ...@@ -169,7 +169,7 @@ CONTAINS
ENDIF ENDIF
#ifdef CPP_MPI #ifdef CPP_MPI
CALL MPI_BCAST(qpw,SIZE(qpw),CPP_MPI_COMPLEX,0,& CALL MPI_BCAST(qpw,SIZE(qpw),CPP_MPI_COMPLEX,0,&
& mpi,ierr) & mpi%mpi_comm,ierr)
#endif #endif
! g ne 0 terms : \sum_{K \= 0} 4 \pi i^l \rho_I(K) R_i^{l+3} \times ! g ne 0 terms : \sum_{K \= 0} 4 \pi i^l \rho_I(K) R_i^{l+3} \times
! j_{l+1} (KR_i) / KR_i \exp{iK\xi_i} Y^*_{lm} (K) ! j_{l+1} (KR_i) / KR_i \exp{iK\xi_i} Y^*_{lm} (K)
...@@ -211,7 +211,7 @@ CONTAINS ...@@ -211,7 +211,7 @@ CONTAINS
n = SIZE(qlmp) n = SIZE(qlmp)
ALLOCATE(c_b(n)) ALLOCATE(c_b(n))
CALL MPI_REDUCE(qlmp,c_b,n,CPP_MPI_COMPLEX,MPI_SUM,0,& CALL MPI_REDUCE(qlmp,c_b,n,CPP_MPI_COMPLEX,MPI_SUM,0,&
& mpi,ierr) & mpi%mpi_comm,ierr)
IF (mpi%irank.EQ.0) THEN IF (mpi%irank.EQ.0) THEN
qlmp=RESHAPE(c_b,(/SIZE(qlmp,1),SIZE(qlmp,2),SIZE(qlmp,3)/)) qlmp=RESHAPE(c_b,(/SIZE(qlmp,1),SIZE(qlmp,2),SIZE(qlmp,3)/))
ENDIF ENDIF
......
...@@ -78,7 +78,7 @@ CONTAINS ...@@ -78,7 +78,7 @@ CONTAINS
& qlm) & qlm)
#ifdef CPP_MPI #ifdef CPP_MPI
psq(:) = CMPLX(0.0,0.0) psq(:) = CMPLX(0.0,0.0)
CALL MPI_BCAST(qpw,size(qpw),CPP_MPI_COMPLEX,0,mpi,ierr) CALL MPI_BCAST(qpw,size(qpw),CPP_MPI_COMPLEX,0,mpi%mpi_comm,ierr)
nd = (2*atoms%lmaxd+1)*(atoms%lmaxd+1)*atoms%ntype nd = (2*atoms%lmaxd+1)*(atoms%lmaxd+1)*atoms%ntype
CALL MPI_BCAST(qlm,nd,CPP_MPI_COMPLEX,0,mpi%MPI_COMM,ierr) CALL MPI_BCAST(qlm,nd,CPP_MPI_COMPLEX,0,mpi%MPI_COMM,ierr)
#endif #endif
...@@ -195,6 +195,9 @@ CONTAINS ...@@ -195,6 +195,9 @@ CONTAINS
ENDIF ENDIF
WRITE (6,FMT=8000) psint WRITE (6,FMT=8000) psint
WRITE (16,FMT=8000) psint WRITE (16,FMT=8000) psint
DO k=2,stars%ng3
write(6,*) "PSQ",k,psq(k)
ENDDO
8000 FORMAT (/,10x,'integral of pseudo charge density inside the slab='& 8000 FORMAT (/,10x,'integral of pseudo charge density inside the slab='&
& ,5x,2f11.6) & ,5x,2f11.6)
IF (.NOT.input%film) RETURN IF (.NOT.input%film) RETURN
......
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