Check the directory where your WIEN2k installation is. C_setupc1112
should be a non-empty file there. On my system for example, I find
C_steupc1112 under my WIEN2k folder:
username@computername:~$ ls -l $WIENROOT/C_setupc1112
-rwxrwxr-x 1 username username 54120 Jul 5 07:09
/home/username/WIEN2k/C_setupc1112
If the file is missing, you may have to recompile it. Run siteconfig
and look under "Compile time errors (if any) were:" to see if there are
any failure messages. If there were no failures, there will be no
messages under it:
username@computername:~$ cd $WIENROOT
username@computername:~/WIEN2k$ ./siteconfig
...
Selection: R
...
Selection: S
Which program to recompile? IRelast
SRC_IRelast ...
gfortran -o ../C_setupc1112 C_setupc1112.o getcalljobC.o makestructC.o
-ffree-form -O2 -ftree-vectorize -march=native -ffree-line-length-none
-ffpe-summary=none -L../SRC_lib -L/home/username/OpenBLAS -lopenblas
-lpthread
...
gfortran -o ../stabilityJAC stabilityJAC.o -ffree-form -O2
-ftree-vectorize -march=native -ffree-line-length-none
-ffpe-summary=none -L../SRC_lib -L/home/username/OpenBLAS -lopenblas
-lpthread
Copying programs
done.
Compile time errors (if any) were:
Check file compile.msg in the corresponding SRC_* directory for the
compilation log and more info on any compilation problem.
Press RETURN to continue
...
Selection: Q
Kind Regards,
Gavin
WIEN2k user
On 9/3/2022 6:33 AM, Peeyush Kumar Kamlesh wrote:
Dear Users,
I am using WIEN2k 21.1. While running set_elast_lapw in IRelast of a
material of space-group 225, i am facing following error:
setup information for (c11+2c12) elastic constant calculation:
C_setupc1112: command not found
chmod: cannot access 'CUBIC.job': no such file or directory
Kindly help in resolving the issue.
Thank you!
Best Regards!
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