Based on your post below, the -llapack_lapw in your compiler settings
(adjustable in siteconfig) has a dash (-) in it. However, the dash is
missing in -llapack, which looks like it could cause that error.
Instead of "-llapack_lapw -lblas_lapw -lblas -llapack", it is noted that
some prefer to
Dear sir,
After following the steps in provided solution, i am getting
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 -llapack_lapw -lblas_lapw -lblas llapack
This means, IRelast package can not find C_setupc1112 program in the main
directory which you have installed WIEN2k package and it is clear IRelast
package have not installed correctly and you must recompile it.
Please do the steps that "Gavin Abo" have obtained them.
With best,Morteza
I think some improvements are needed to IRelast from one of the developers:
a) Change and provide Peter with a better installation script. It seems
that there are numerous problems with this.
b) Go through the code/scripts and provide detailed user error & warnings.
These are not for the expert,
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
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
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