EPW Forum

Dear H. Lee, After completing the .epb file writing part, job is terminating from the queue with error msg: The .epb files have been correctly written Band disentanglement is used: nbndsub = 60 Use zone-centred Wigner-Seitz cells Number of WS vectors for electrons 279 Number of WS vectors for ...

Dear H. Lee,

By assigning absolute path of the working directory to tmp_dir in readwfc subroutine, I am able to avoid this error.

Thanks for your time.

Regards,
Prasad

Dear Lee, Thanks for your help. When I issue "make run-tests-epw-parallel", all tests related to epw*.in are failed, and showing the below error: Error in routine readwfc (20): error opening wfc file %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... epw ...

Dear Lee, Yes, with 96 processors(for scf, nscf & epw runs) it crashed at iq=1, with 48 procs it crashed at iq=4. dvscf files are generated by the ph run with much larger no. of procs. Yes, number of k points=1728 in nscf.out [12x12x12] submit.sh: module load compilers/intel2017/composer_xe_2017 ...

Dear Lee, scf.in: &CONTROL calculation='scf', outdir='./', prefix='xx', pseudo_dir='../../../', wf_collect=.true., verbosity='high', / &SYSTEM ibrav=0, celldm(1)=15.325677767d0, nat=16, ntyp=3, ecutwfc=50, occupations='smearing', smearing='fd', degauss=0.003d0, / &ELECTRONS conv_thr=1d-08, mixing ...

Dear Lee, Yes, .wfc files are in the working directory. The run completing well the AMN, MMN calculations and till the end of Wannier part. It is crashing at: =================================================================== irreducible q point # 1 ...

Dear EPW-developers, While using EPW with QE-6.6 (compiled with Intel 17), I am facing the below error: "Error in routine readwfc (20): error opening wfc file" From previous posts, I haven't find any fix for this error. Could you please suggest on how to fix this error. Warm regards, Prasad JNCASR ...