EPW Forum

Dear all,

I am trying to calculate the superconducting gap of a system. EPW stops after:

Computes the analytic long-range interaction for polar materials [lpolar]

Use zone-centred Wigner-Seitz cells
Number of WS vectors for electrons 1333
Number of WS vectors for phonons 157
Number of WS vectors for electron-phonon 157
Maximum number of cores for efficient parallelization 1413
with the error:

" %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 85
from ephwann_shuffle : error # 1
Error allocating epmatwp
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"

The parameters of the input file:

elph = .true.
kmaps = .false.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
ephwrite=.true.
.
.
.
iverbosity=0

nkf1 = 24
nkf2 = 24
nkf3 = 1

nqf1 = 24
nqf2 = 24
nqf3 = 1

mp_mesh_k=.true.

nk1 = 36
nk2 = 36
nk3 = 1

nq1 = 12
nq2 = 12
nq3 = 1
/

Any help would be appreciated

Regards

Dear eliephys78:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 85
from ephwann_shuffle : error # 1
Error allocating epmatwp
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

It seems that you encounter the large memory footprint problem; so in order to solve this problem, you can try to (1) use etf_mem=1 or 2 or (2) reduce the number of cores per node, thereby leading to the increase of memory per each core.

Sincerely,

H. Lee

Dear Dr. Lee,

Thanks for your response. It was indeed a memory problem.

Regards