Dear QE Community Members,
I am trying to run Program PWSCF v.6.7MaX on the XSEDE Comet cluster with the
given configuration[1]
But the code is exiting with an error[2].
Can anybody please help to find out how to fix it if it is not a machine-error?
Thank you.
[1]
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=2
#SBATCH --mem=51G
#SBATCH --gres=gpu:p100:2
[2]
iteration # 1 ecut= 40.00 Ry beta= 0.70
Warning: ieee_inexact is signaling
1
Davidson diagonalization with overlap
zhegvdx_gpu error: cusolverDnZpotrf failed!
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine cdiaghg_gpu (1):
zhegvdx_gpu failed
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
——
Jatin Kashyap
Ph.D. Student
Dr. Dibakar Datta Group
Department of Mechanical and Industrial Engineering
New Jersey Institute of Technology (NJIT)
University Heights
Newark, NJ 07102-1982
Phone- (201)889-5783
Email- [email protected]
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