EPW Forum

Posted: **Sat Aug 08, 2020 3:57 am**

Dear developers,

I would like to report an inconsistency in the directory where the binary files are written.

In ephwann_shuffle, the prefix.epmatwe1 file is opened as

Code: Select all

CALL diropn(iunepmatwe, 'epmatwe', lrepmatw, exst)

By default, diropn opens prefix.epmatwe1 file at tmp_dir, which is set by the input parameter outdir.
However, in bloch2wan.f90, the prefix.epmatwe1 files are read from the current directory:

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filint = TRIM(prefix)//'.epmatwe1'

This causes error when outdir is not the current directory.

The error can be reproduced by running the epw_base test, with outdir = './tmp/' and etf_mem = 1 added in epw1.in. The error is

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 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine ephbloch2wanp_mem (1):
     error in MPI_FILE_OPEN epmatwe
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Before running epw.x, diam.save and diam.xml should be moved from ./ to ./tmp/.
(Note that outdir for scf.x or ph.x should not be changed, because pp.py assumes outdir == './'. I personally use a modified version of pp.py.)

It seems that a similar problem exists for the prefix.epmatwp files, but I am not sure about this one.

It would be good to unify the directory where all the large binary files are written/read, maybe as tmp_dir.
I might be overlooking some MPI-IO related problems. Then, at least the files should be written and read from the same directory to prevent crashes.

Regards,
Jae-Mo

Posted: **Sat Aug 08, 2020 6:07 am**

Dear Jae-Mo:

Thank you for reporting this bug.

You are right; TRIM(tmp_dir) should be added as in EPW/src/io_eliashberg.f90.

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      ! read frequencies from file
      dirname = TRIM(tmp_dir) // TRIM(prefix) // '.ephmat'
      filfreq = TRIM(dirname) // '/' // 'freq'

Sincerely,

H. Lee

Posted: **Wed May 04, 2022 10:26 pm**

I got a similar problem when i running epw.in. Could you tell me how to deal with this problem?

Error in routine ephbloch2wanp_mem (1):
error in MPI_FILE_READ_AT

Posted: **Thu May 05, 2022 5:18 pm**

Dear wuyu:

Could you provide us with your full epw.in and epw.out?

Sincerely,

H. Lee

EPW Forum

Inconsistency in the directory where the binary files are written

Inconsistency in the directory where the binary files are written

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Re: Inconsistency in the directory where the binary files are written

Re: Inconsistency in the directory where the binary files are written