[Wien] hmsec.F:(.text+0x3057): undefined reference to `pzheevr_'

[Gavin Abo]

I'm able to reproduce your new compile.msg errors below from hmsec.F in 
WIEN2k 17.1 with the -Dold_scalapack switch.

This seems to be because the & (continue line feed) symbol is missing on 
line 723 and 756. There also might be too many spaces in line 724.

Try placing that attached patch file (hmsec.patch) into the SRC_lapwso 
directory of WIEN2k 17.1, then while in that directory in a terminal run:

patch -b hmsec.F hmsec.patch

Then, do a recompile in siteconfig, it should remove those errors.

Note: I get some other errors (from 'parallel_mp_init_parallel_') after 
those, but hopefully it is just on my system only as my blacs for 
parallel is apparently not currently setup correctly.

SRC_lapwso/compile.msg:
...
mpiifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML 
-Dold_scalapack -traceback -assume buffered_io 
-I/opt/intel/composer_xe_2013.1.117/mkl/include -DParallel -c hmsec.F
hmsec.F(723): error #5082: Syntax error, found END-OF-STATEMENT when 
expecting one of: ( * ) :: , <IDENTIFIER> <CHAR_CON_KIND_PARAM> 
<CHAR_NAM_KIND_PARAM> <CHARACTER_CONSTANT> ...
        abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec,
------------------------------------------------------^
hmsec.F(724): error #5276: Unbalanced parentheses
        pWORK1,ipLWORK, pRWORK1, ipLRWORK,pIWORK1,ipLIWORK, 
pIFAIL,pICLUSTR,pGAP,INFO)
-------------------------------------------------------------------------------------------------------^
hmsec.F(756): error #5082: Syntax error, found END-OF-STATEMENT when 
expecting one of: ( * ) :: , <IDENTIFIER> <CHAR_CON_KIND_PARAM> 
<CHAR_NAM_KIND_PARAM> <CHARACTER_CONSTANT> ...
      abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec,
----------------------------------------------------^
hmsec.F(757): error #5276: Unbalanced parentheses
pWORK,pLWORK,pRWORK,pLRWORK,pIWORK,pLIWORK,pIFAIL,pICLUSTR,pGAP,INFO)
-------------------------------------------------------------------------^
...

On 9/29/2017 4:29 AM, Dr. K. C. Bhamu wrote:
> Dear Gavin
>
> Thanks for you detailed advice. Unfortunetly is could not solve the issue,
>
> What I did is I added  "-pthread" to linker's option and I do not see 
> any warning/error message.
> Hope it should be fine.
>
>
> regards
> Bhamu
-------------- next part --------------
723,724c723,724
<        abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec,
<        pWORK1,ipLWORK, pRWORK1, ipLRWORK,pIWORK1,ipLIWORK,                    pIFAIL,pICLUSTR,pGAP,INFO)
---
>        abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec, &
>        pWORK1,ipLWORK, pRWORK1, ipLRWORK,pIWORK1,ipLIWORK,pIFAIL,pICLUSTR,pGAP,INFO)
756c756
<      abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec,
---
>      abstol,neig,pNZ_vec,en,porfac,vec,1,1,DESC_vec, &