ABINIT Discussion Forums

Posted: **Sun Jun 13, 2010 6:32 pm**

Dear ABINIT users

I have calculated DDBs for 12 -points of my desired system successfully and all relevant parameters are the same like :natom,
ntypat, nband, acell, amu, ecut, ixc, lloc, ngfft, occ, rprim, typat, xred, zion.
Unfortunately the mrgddb can not read them correctly and merge them and each time produces different log files . Could you please help me to understand the problem?
I have attached two samples of log files.

Best regards,Payam Norouzzadeh

Posted: **Mon Jun 14, 2010 9:32 am**

you are running mrgddb in parallel. Run it in serial.

Posted: **Thu Jun 24, 2010 6:13 pm**

Dear mverstra

a quick question regarding my post about mrgddb:
How can I run nrgddb in serial? I used parallel mrgddb to run ABINIT example about AlAs but it does not work for my system.
Could you please let me know how can I run mrgddb in serial?
Thanks in advance.

Best regards,Payam Norouzzadeh

Hello, we need to see the command line you used with mrgddb. Also send in your config.log, abinit version etc... Normally

Code: Select all

mrgddb < ddb.files

should work ok. You are probably running

Code: Select all

mpirun mrgddb < ddb.files

or something like that, maybe in a batch.

matthieu

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mrgddb fails to read DDBs

mrgddb fails to read DDBs

Re: mrgddb fails to read DDBs

Re: mrgddb fails to read DDBs