Hey
I am coding in FORTRAN.
My code:
LWORK=2*n*n+6*n+1
LIWORK=5*n+3
status=ma_push_get(MT_DBL, n*n,
$ 'diag_std_seq:a', l_a, k_a)
status=status.and.ma_push_get(MT_DBL, n*n,
$ 'diag_std_seq:v', l_v, k_v)
call ga_to_SL(g_a,n,n,n,n,dbl_mb(k_v), n, n,n)
write(*,*) 'here before dsyevd'
call dsyevd('V','L',n, dbl_mb(k_v),n,
$ evals, dbl_mb(k_a),LWORK,IWORK,LIWORK, info)
Please refer below for my error:
** On entry to DSTEQR parameter number 2 had an illegal value
------------------------------------------------------------------------
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
40: task tddft energy
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the specified basis set
------------------------------------------------------------------------
For more information see the NWChem manual at
http://www.nwchem-sw.org/index.php/NWChem_Documentation
For further details see manual section:
0:0:xerbla:double: lapack error:: 911
(rank:0 hostname:compute-0-15.local pid:22449):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
Last System Error Message from Task 0:: Inappropriate ioctl for device
application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0
Background:
I am try to call dsyevd instead of dsyev function call!!Regards
Selva