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- From: "Narayani Choudhury" <n.choudhury@gl.ciw.edu>
- To: <forum@abinit.org>
- Subject: mkmem =0, multidataset mode
- Date: Mon, 1 Dec 2003 22:38:18 -0500 (EST)
- Importance: Normal
hi,
I was using mkmem=0 in multidata set mode (ABINIP 413), but the calc exit
after the ground state with the following message. I tried to rename the
WFK and DEN file to restart the non self-consis calc, but it gives the
same error. How do I fix this, Is this error related to localrdwf?
Thanks in advance
Narayani
-P-0000 inwffil about to open unit 13 for file=ptx_WFGS_P-0000
newkpt : in paral mode, only node 0 describes in the main output file the
copying of wfs.
-P-0000 - newkpt: read input wf with ikpt,npw= 1 9764, make ikpt,npw=
1 9764
-P-0000 - newkpt: read input wf with ikpt,npw= 2 9776, make ikpt,npw=
2 9776
-P-0000 - newkpt: read input wf with ikpt,npw= 3 9766, make ikpt,npw=
3 9766
-P-0000 - newkpt: read input wf with ikpt,npw= 4 9776, make ikpt,npw=
4 9776
-P-0000
-P-0000 rwwf: ERROR -
-P-0000 Reading option of rwwf. Trying to read
-P-0000 the (npw,nspinor,nband) record of a wf file, unit= 3
-P-0000 gave iostat=****. Your file is likely not correct.
-P-0000 Action: check your input wf file.
-P-0000
-P-0000 leave_new : decision taken to exit ...
-P-0000 leave_new : synchronization done...
-P-0000 leave_new : exiting...
Narayani Choudhury
Geophysical laboratory,
Carnegie Institution of Washington,
5251, Broad Branch Road, N.W.,
Washington D.C. 20015
Phone: +1-202-478-8945
email: n.choudhury@gl.ciw.edu
- mkmem =0, multidataset mode, Narayani Choudhury, 12/02/2003
- Energy selective electron density ?, torsten . schmidt, 12/02/2003
- Re: [abinit-forum] Energy selective electron density ?, Xavier Gonze, 12/02/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, torsten . schmidt, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/04/2003
- Re: [abinit-forum] Energy selective electron density ?, torsten . schmidt, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Pawel Scharoch, 12/03/2003
- Re: [abinit-forum] Energy selective electron density ?, Xavier Gonze, 12/02/2003
- Re: mkmem =0, multidataset mode, Narayani Choudhury, 12/02/2003
- Energy selective electron density ?, torsten . schmidt, 12/02/2003
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