I tried to make a calculated optical properties. but I have found a following error: it Please could you help me.
Please, give the name of the data file ...
The name of the data file is :
toptic_2.in
Please, give the name of the output file ...
The name of the output file is :
toptic_2.out
Please, give the root name for the (non)linear optical data output file ...
The root name of the output files is :
toptic_2
hdr_io : ERROR -
The first line of the (WF, DEN or POT) file read in unit 10 is erroneous.
headform is 57, while it should be 23, 34, 40, 41, 42, 44 or 53.
Action : check the correctness of your file.
leave_new : decision taken to exit ...
optical erreur
Moderator: bguster
Re: optical erreur
You are trying to read a WFK file generated with a recent version of Abinit but the optic
tool found in your $PATH is too old and does not support the new fileformat.
Use the shell command:
$ whereis optic
to print the location of the executable.
Make sure you are using a version of optic that matches the one used to generate the WFK file
tool found in your $PATH is too old and does not support the new fileformat.
Use the shell command:
$ whereis optic
to print the location of the executable.
Make sure you are using a version of optic that matches the one used to generate the WFK file
Re: optical erreur
think you,
I have changed the version abinit. but I found the same problem: I used
- Abinit-6.10.3
- Version 5.3.4 of OPTIC
I have changed the version abinit. but I found the same problem: I used
- Abinit-6.10.3
- Version 5.3.4 of OPTIC
Re: optical erreur
Note that I was suggesting to change the version of optic, and not the version of Abinit
The version of optic you are using is too old.
OPTIC-5.3.4 cannot read the WFK file produced by Abinit-6.10.3
since we have introduced new formats for the WFK file.
Use Optic version 6.10.3, the executable is located inside ~abinit-6-10.3/src/98_main/
where ~abinit is the directory containing the source code used to compile the abinit executable
you are using in your calculations.
The version of optic you are using is too old.
OPTIC-5.3.4 cannot read the WFK file produced by Abinit-6.10.3
since we have introduced new formats for the WFK file.
Use Optic version 6.10.3, the executable is located inside ~abinit-6-10.3/src/98_main/
where ~abinit is the directory containing the source code used to compile the abinit executable
you are using in your calculations.
Re: optical erreur
Dear;
yes, I used optic located in abinit6.8.3/src/98_main. but I found the same problem
yes, I used optic located in abinit6.8.3/src/98_main. but I found the same problem
Re: optical erreur
Dear;
yes, I used optic located in abinit6.10.3/src/98_main. but I found the same problem. i used the inputs from optical tutorial
yes, I used optic located in abinit6.10.3/src/98_main. but I found the same problem. i used the inputs from optical tutorial
Re: optical erreur
So the next questions are:
1) "Which version of Abinit di you use to generate the files you are trying to read with optics?"
2) Can you complete the optic tutorial, if you use the executables (abinit, optic) located in abinit6.8.3/src/98_main
1) "Which version of Abinit di you use to generate the files you are trying to read with optics?"
2) Can you complete the optic tutorial, if you use the executables (abinit, optic) located in abinit6.8.3/src/98_main
Re: optical erreur
dear
I used several version abinit source ( 7.6.2.... and 6.10.3 6.8.3 etc). for each version I used abinit; optic are in abinit/src/98_main ( excutable optic for every defirent version). but every time I find the same problem
I used several version abinit source ( 7.6.2.... and 6.10.3 6.8.3 etc). for each version I used abinit; optic are in abinit/src/98_main ( excutable optic for every defirent version). but every time I find the same problem
Re: optical erreur
Configuration options, compiler?
Attach the output of configure (config.log) and the complete output produced by optic
when the calculation stops
Attach the output of configure (config.log) and the complete output produced by optic
when the calculation stops
Re: optical erreur
Dear,
please find these files.
note that the files toptic_2.out is not created
please find these files.
note that the files toptic_2.out is not created
- Attachments
-
config.log- confi.log
- (124.61 KiB) Downloaded 330 times
Re: optical erreur
hello,
I have done every thing to overcome this problem. mias, Still I find the same problem.
Cordially
I have done every thing to overcome this problem. mias, Still I find the same problem.
Cordially