[QE-users] Using Bands.x for quantum espresso version 6.3

Iftikhar Ahmad Niaz iniaz at ucsd.edu
Mon Jul 30 21:37:01 CEST 2018


 Hi all

I'm trying to generate band diagram plot with QE version 6.3. Scf run and
Bands run works fine in parallel version. However, after the bands run,
when I try to generate .dat file using bands.x, I get error listed below. I
also found that now the wavefunctions are written in the directory
prefix.save not like previous versions where it was used to be prefix.save/K
FYI: I'm using same parallel scheme (no of cores, k point division etc.)
for scf, bands run for pw.x and bands.x and my wf_collect is set to .true.

Error message:

forrtl: severe (24): end-of-file during read, unit 99, file
/../out/prefix.save/wfc1.dat
Image              PC                Routine            Line        Source

bands.x            0000000000B4F423  Unknown               Unknown  Unknown
bands.x            0000000000B7EE74  Unknown               Unknown  Unknown
bands.x            00000000007EFABE  Unknown               Unknown  Unknown
bands.x            00000000005C6C6A  Unknown               Unknown  Unknown
bands.x            000000000045F567  Unknown               Unknown  Unknown
bands.x            0000000000411374  Unknown               Unknown  Unknown
bands.x            0000000000410F9E  Unknown               Unknown  Unknown
libc.so.6          00000030C5A1ED1D  Unknown               Unknown  Unknown
bands.x            0000000000410EA9  Unknown               Unknown  Unknown
..............
..............

[1:tscc-0-4] unexpected disconnect completion event from [0:tscc-0-6]
[2:tscc-0-62] unexpected disconnect completion event from [0:tscc-0-6]
[11:tscc-0-35] unexpected disconnect completion event from [0:tscc-0-6]

I would highly appreciate if someone could share their experience in
solving this issue.

Regards


-- 
Iftikhar Ahmad Niaz
Graduate Student Researcher
Department of Electrical and Computer Engineering <http://www.ece.ucsd.edu/>
University of California, San Diego <http://www.ucsd.edu/>
CA 92093,USA
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