I'm running latest version of EPW in qe-7.2 with PAW PPs and considering spin-orbit coupling. I have set "vdw_corr = 'dft-d'" in 'scf' and 'nscf'. The phonon calculation finishes smoothly and has no imaginary frequency. But the EPW code stops just after "Finished reading ifcs" with no error message in epw.out.
I find the error message in slurm-jobid.out saying "malloc(): invalid size (unsorted)".Progress kgmap: ########################################
kmaps : 0.07s CPU 0.13s WALL ( 1 calls)
Symmetries of Bravais lattice: 24
Symmetries of crystal: 12
Reading interatomic force constants
IFC last 0.0009652
Norm of the difference between old and new effective charges: 0.0000000
Norm of the difference between old and new force-constants: 0.0000618
Imposed crystal ASR
Finished reading ifcs
There are 24 inequivalent q-points in dyn0. I have tried to reduce the coarse k-mesh in nscf calculation, but the issue persists. There is 256GB of memory single node in the cluster I'm using. So I don't think it's caused by insufficient memory.
I know it's recommended to use NCPP in EPW. Is this issue likely related to the PAW PPS or SOC, or the dft-d correction? Has anyone encountered a similar situation before? I would appreciate some advice.