[QE-users] Muti-GPU Error on v.6.7MaX

[Jatin Kashyap]

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- jk435 at njit.edu

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