[Wien] compile wien2k_11.1 in mkl8.1, fortcom error

[ZhenChen]

Dear  Laurence Marks and Peter Blaha,
Thank you very much for your kindly suggestions! 
I repaced the c3fft subroutine by the one in wien2k_10.1 as you suggested and recompiled lapw2. Then similar fortcom errors occured in the subroutine gaunt.f. So I also replaced it by the older one, and then everything is OK! 
As for the error in lapw1:

hamilt.o(.text+0x419a): In function `hamilt_':
: undefined reference to `vzcis_'
make[1]: *** [lapw1] Error 1

I also replaced the hamilt.f/o subroutine by the older one, and the error disappeared.
The error measage for mixer  is: 

UnPackValues8.o(.text+0xb43): In function `unpackvalues8_':
: undefined reference to `vdmul_'
make: *** [mixer] Error 1

In Wien2k_11, there are two different subroutines UnPackValues7 and UnPackValues8, but there is only one subroutine UnPackValues in Wien2k_10.1, so I don't know how to solve this problem???? Do such errors have any impacts on the running processes?  I can run the test case TiC successfully!
I didn't come across other subroutines envolved such errors when the newest version is compiled with intel-ifort 9.1 and mkl 8.1.  I also eager to know if such replacements with the older subroutines (only the subroutines c3fft, gaunt, and hamilt) will influence the calculation results and/or lead to some errors???

Finally, I noticed that the interface for ELNES simulations is still TELNES2 and there are not telnes3 interface in the w2web. I have checked the files in SRC_w2web/htdocs/exec, and only have telnes2.pl. There should have telnes3.pl or similar files for telnes3 in that fold, am I right???
Any responses are highly appreciated!


2011-05-02 
 
      PhD. candidate, Zhen Chen
------------------------------
Beijing Laboratory of Electron Microscopy 
Institute of Physics 
Chinese Academy of Sciences
P. O. Box 603 
Beijing 100190, China
Tel: 86-10-82648001
　　　　　　　　zchen at blem.ac.cn

>From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
>Subject: Re: [Wien] compile wien2k_11.1 in mkl8.1, fortcom error
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Message-ID:
><Pine.LNX.4.58.1104221610080.20848 at susi.theochem.tuwien.ac.at>
>Content-Type: text/plain; charset="us-ascii"

>I include a couple of routines, where I noticed problem with very old 
>compilers. I concerns  the use of functions like dsqrt or acos in 
>"parameter" statements as well as some subroutines which are not 
>included in old mkl/vml versions.
>You can replace the original ones by them.
>PS: The list of subroutines may not be complete.
>
 >                                    P.Blaha
>--------------------------------------------------------------------------
>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
>--------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110502/f248306e/attachment.htm>