Commit 060d063d authored by Daniel Wortmann's avatar Daniel Wortmann

Changed Magma routine. Now runs on JURECA (wrong results :-( )

parent a273eb8d
......@@ -15,7 +15,7 @@ CONTAINS
SUBROUTINE magma_diag(nsize,eig,ne,a_r,b_r,z_r,a_c,b_c,z_c)
use m_packed_to_full
#ifdef CPP_MAGMA
! use magma
use magma
#endif
#include"cpp_double.h"
IMPLICIT NONE
......@@ -76,7 +76,7 @@ CONTAINS
allocate(work(1),rwork(1),iwork(1))
print *,"Magma workspace query"
call flush()
call magmaf_zhegvdx_2stage_m(NGPU_CONST,1,'v','i','l',nsize,largea_c,nsize,largeb_c,nsize,&
call magmaf_zhegvdx(1,'v','i','l',nsize,largea_c,nsize,largeb_c,nsize,&
0.0,0.0,1,ne,mout,eigTemp,work,-1,rwork,-1,iwork,-1,err)
lwork=work(1)
lrwork=rwork(1)
......@@ -88,7 +88,7 @@ CONTAINS
!Now the diagonalization
print *,"Magma diagonalization"
print *,nsize,shape(largea_c),shape(eigTemp),ne
call magmaf_zhegvdx_2stage_m(NGPU_CONST,1,'v','i','l',nsize,largea_c,nsize,largeb_c,nsize,&
call magmaf_zhegvdx(1,'v','i','l',nsize,largea_c,nsize,largeb_c,nsize,&
0.0,0.0,1,ne,mout,eigTemp,work,lwork,rwork,lrwork,iwork,liwork,err)
print*,"MAGMA info:",err
if (err/=0) call juDFT_error("Magma failed to diagonalize Hamiltonian")
......
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