[Wien] Error in IRelast

[Gavin Abo]

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 use instead "-lopenblas" along with an operating system 
package install of the openblas library [1,2].

On the other hand, I typically use a source code install of openblas [3,4].

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21045.html
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21482.html
[3] https://www.openblas.net/
[4] 
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.pdf 


Kind Regards,

Gavin

On 9/3/2022 9:17 PM, Peeyush Kumar Kamlesh wrote:
> 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
>
> /usr/bin/ld: cannot find llapack: No such file or directory
> collect2: error: ld returned 1 exit status
> make: *** [Makefile:227: ../C_setupc1112] Error 1
>
>
> Point to mention is that in my system, lapack folder is in 
> Computer/usr/lib/×86_64-linux-gnu
>
> On Sat, 3 Sept 2022, 6:03 pm Peeyush Kumar Kamlesh, 
> <peeyush.physik.rku at gmail.com> 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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