diff --git a/diagonalization/scalapack.F90 b/diagonalization/scalapack.F90 index 79e075c44c76f9f76f66c5a7e2156017a92bda67..1a67bce0b2a47910f93bb311166c142ade178e79 100644 --- a/diagonalization/scalapack.F90 +++ b/diagonalization/scalapack.F90 @@ -139,9 +139,9 @@ CONTAINS IF (hmat%l_real) THEN uplo='U' CALL CPP_LAPACK_pdsygvx(1,'V','I','U',hmat%global_size1,hmat%data_r,1,1,& - hmat%blacs_desc,smat%data_r,1,1,hmat%blacs_desc,& + hmat%blacs_desc,smat%data_r,1,1,smat%blacs_desc,& 0.0,1.0,1,num,abstol,num1,num2,eig2,orfac,ev_dist%data_r,1,1,& - hmat%blacs_desc,work2_r,-1,iwork,-1,ifail,iclustr, gap,ierr) + ev_dist%blacs_desc,work2_r,-1,iwork,-1,ifail,iclustr, gap,ierr) IF ( work2_r(1).GT.lwork2) THEN lwork2 = work2_r(1) DEALLOCATE (work2_r) @@ -161,9 +161,9 @@ CONTAINS ENDIF CALL CPP_LAPACK_pzhegvx(1,'V','I','U',hmat%global_size1,hmat%data_c,1,1,& - hmat%blacs_desc,smat%data_c,1,1, hmat%blacs_desc,& + hmat%blacs_desc,smat%data_c,1,1, smat%blacs_desc,& 0.0,1.0,1,num,abstol,num1,num2,eig2,orfac,ev_dist%data_c,1,1,& - hmat%blacs_desc,work2_c,-1,rwork,-1,iwork,-1,ifail,iclustr,& + ev_dist%blacs_desc,work2_c,-1,rwork,-1,iwork,-1,ifail,iclustr,& gap,ierr) IF (ABS(work2_c(1)).GT.lwork2) THEN lwork2=work2_c(1) @@ -199,14 +199,14 @@ CONTAINS ! CALL timestart("SCALAPACK call") if (hmat%l_real) THEN - CALL CPP_LAPACK_pdsygvx(1,'V','I','U',hmat%global_size1,hmat%data_r,1,1,hmat%blacs_desc,smat%data_r,1,1, hmat%blacs_desc,& + CALL CPP_LAPACK_pdsygvx(1,'V','I','U',hmat%global_size1,hmat%data_r,1,1,hmat%blacs_desc,smat%data_r,1,1, smat%blacs_desc,& 1.0,1.0,1,num,abstol,num1,num2,eig2,orfac,ev_dist%data_r,1,1,& - hmat%blacs_desc,work2_r,lwork2,iwork,liwork,ifail,iclustr,& + ev_dist%blacs_desc,work2_r,lwork2,iwork,liwork,ifail,iclustr,& gap,ierr) else - CALL CPP_LAPACK_pzhegvx(1,'V','I','U',hmat%global_size1,hmat%data_c,1,1,hmat%blacs_desc,smat%data_c,1,1, hmat%blacs_desc,& + CALL CPP_LAPACK_pzhegvx(1,'V','I','U',hmat%global_size1,hmat%data_c,1,1,hmat%blacs_desc,smat%data_c,1,1, smat%blacs_desc,& 1.0,1.0,1,num,abstol,num1,num2,eig2,orfac,ev_dist%data_c,1,1,& - hmat%blacs_desc,work2_c,lwork2,rwork,lrwork,iwork,liwork,& + ev_dist%blacs_desc,work2_c,lwork2,rwork,lrwork,iwork,liwork,& ifail,iclustr,gap,ierr) DEALLOCATE(rwork) endif diff --git a/global/triang.f b/global/triang.f index 8bfb8228895b63befd093b9946a1abea53341931..27d57218c0989af7c5f36b36497d1db962ac4504 100644 --- a/global/triang.f +++ b/global/triang.f @@ -27,7 +27,8 @@ c locals LOGICAL :: new c constants REAL , PARAMETER :: zero = 0.0 , big = 1.e8 , tol = 1.e-5 -c + + ntria = 0 IF ( nkpt.LT.3 ) RETURN c c l_f_t=.true. means that we call from fertri and on output gives 'film'