EDDAV: Call to ZHEGV failed in VASP 6.6 GPU runs

[chanaprom_cholsuk1]

Dear VASP Expert Team,

I am running VASP 6.6.0 with Intel GPUs, using vasp_gam with the HSE06 functional. Please find attached the INCAR and POSCAR files.

gpu.zip

Unfortunately, the calculation works only when using #SBATCH --ntasks-per-node=1 in my SLURM script. Whenever I increase this value to 2, 3, 4, or 8 (8 is the maximum for my 1 GPU node), or even when using #SBATCH --nodes=2 in the SLURM script, I encounter the following error:

scaLAPACK will be used
LDA part: xc-table for (Slater+PW92), standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
-----------------------------------------------------------------------------
| |
| EDDAV: Call to ZHEGV failed. Returncode = 100 1 8 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------

I would like to ask why increasing the number of MPI tasks per node leads to this error. Could you advise on the recommended way to run this type of HSE06 calculation with Intel GPUs, please?

I would like to note that this calculation works well for VASP 6.4.2 - gamma only on CPUs.

Thank you very much in advance.

Best regards,
Chanaprom