[QE-users] end-of-file fortran error in gipaw nmr calculation

[Siebe Vanlommel]

Hi all,

I'm trying out an example nmr calculation on a quartz system using gipaw (source<http://www.gipaw.net/work_zurich09.html> of examples, input files<http://www.tcm.phy.cam.ac.uk/~jry20/gipaw/gipaw_day2.tgz>). The SCF runs fine, but running the gipaw.x nmr calculation I get the following error:

forrtl: severe (24): end-of-file during read, unit 99, file /nec/vol1/site_scratch/leuven/428/vsc42804/QE/example_nmr/./quartz_scf.save/wfc1.dat
Image              PC                Routine            Line        Source
gipaw.x            0000000000C5AA49  Unknown               Unknown  Unknown
gipaw.x            0000000000C868C4  Unknown               Unknown  Unknown
gipaw.x            0000000000864F9A  io_base_mp_read_w         344  io_base.f90
gipaw.x            00000000006F25F5  pw_restart_new_mp        1929  pw_restart_new.f90
gipaw.x            00000000004F2614  read_file_                 76  read_file_new.f90
gipaw.x            00000000004066B5  MAIN__                    100  gipaw_main.f90
gipaw.x            00000000004064AE  Unknown               Unknown  Unknown
libc.so.6          00002B06DF2F9495  Unknown               Unknown  Unknown
gipaw.x            00000000004063A9  Unknown               Unknown  Unknown

Full in and output files are attached. I'm running qe-gipaw using intel compiled QE version 6.2. I can't find out what gipaw.x is trying to read that is missing from wfc1.dat. It is a binary file generated by the SCF, located in the quartz_scf.save folder.

Any help towards solving this problem is greatly appreciated!

Best regards,
Siebe


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