[Pw_forum] u caculate

[Matteo Cococcioni]

Dear Qianjin

you need to recompile the codes in that directory putting the correct 
path to lapack libraries.
I think this information is contained inside a file called 
comp_resp_mat.j. This was constructed to
compile on a specific machine and unfortunately is not general enough to 
work on any machine.

Matteo




wangqj1 wrote:
> Dear Matteo
> In the example of caculate the value of U,after I extract the 
> occupatin numbers ,I execute the ucalc_sc1 file ,and gave these errors :
> /tmp/ifortLWE1zB.o(.text+0x742e): In function `invmat_':
> : undefined reference to `dgetrf_'
> /tmp/ifortLWE1zB.o(.text+0x744e): In function `invmat_':
> : undefined reference to `dgetri_'
> ucalc_sc1.j: line 32: ./r.x: don't have that file or list
> grep: Umat.out: don't have that file or list
> .......................
> I want to know what's wrong with it and how I should modify it .Thank 
> you !
> Beat Wishes
> yours sincerely
> Qianjin Wang
>
>
> ÍøÒ×ÓÊÏä10ÖÜÄê,¼¼Êõ¼ûÖ¤»Ô»Í <http://www.yeah.net>
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