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 On Fri, Sep 29, 2017 at 7:13 AM, Gavin Abo <gs...@crimson.ua.edu> wrote: > composer_xe_2013.1.117 => This is update 1 of the 2013 composer xe [ > https://software.intel.com/en-us/articles/intel-fortran- > composer-xe-2013-release-notes ]. > The MKL 11.0 update 2 release notes [ https://software.intel.com/en- > us/articles/intel-mkl-110-release-notes ] has: > > ScaLAPACK > > Updated version to 2.0.2. New functions introduced include: > > P?SYEVR/P?HEEVR: MRRR (Multiple Relatively Robust Representations) > algorithm > > This seems to indicate that your ifort/mkl version is barely too old. It > looks like update 2 of the 2013 composer xe or a newer version of the > ifort/mkl is needed to be able to use the pzheevr function [ > http://scc.ustc.edu.cn/zlsc/tc4600/intel/2015.1.133/mkl/ > mklman/GUID-B5DEF9B1-C3B5-4D24-A776-744D282039CA.htm ]. > > Please note: There are cases, where the old Scalapack diagonalization > fails." => This strongly suggests that the best solution is to upgrade to a > newer version of the Intel Fortran compiler and mkl. > > If you compare hmsec.F from WIEN2k 14 and 16.1 (using a program like > WinMerge [ http://winmerge.org/ ]), you can clearly see that you most > likely should not use the 14 version of the file in 16.1. > > The hmsec.F that is in the hmsec.F.gz file is the replacement file for > WIEN2k 16.1, which is in Prof. Blaha's post at: > > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15213.html > > This file seems to be identical to the one in WIEN2k 17.1 So, you could > also instead copy the file from WIEN2k 17.1 to 16.1, or better yet should > be to just use WIEN2k 17.1 > > As was previously described, the -Dold_scalapack has to be added to the > parallel options (FPOPT) in 16.1 with the replacement file or in 17.1 if a > ifort/mkl version 2013.1.117 or older is used. > > On 9/28/2017 2:25 PM, Dr. K. C. Bhamu wrote: > > A temperately solution what I see is: > > If I copy below files/modules from Wien2k_14 (not from Wien2k_16) into > respective SRC dir and compiles I see not error or warning. > > Could you please confirm whether this is fine or I should not do this? If > I should avoid this then I am waiting for your advice for a possible > solution. > > *lapw1*: > > > seclr4.* . > > lapw1_mpi > > > *lapwso:* > > hmsec.* . > > lapwso_mpi > > > Regards > Bhamu > > > > On Thu, Sep 28, 2017 at 11:08 PM, Dr. K. C. Bhamu <kcbham...@gmail.com> > wrote: > >> Dear Prof. Peter, >> Below warning message is already mentioned in the mailing list some time >> ago and I tried all possibilities but I could not fix it. >> >> In one of the link you advised : >> >> "The attached hmsec.F for lapwso contains the old and new Scalapack >> routines. >> >> Add -Dold_scalapack to the parallel compiler options. >> >> Please note: There are cases, where the old Scalapack diagonalization >> fails." >> >> >> >> >> >> hmsec.o: In function `hmsec_': >> hmsec.F:(.text+0x3057): undefined reference to `pzheevr_' >> hmsec.F:(.text+0x37b0): undefined reference to `pzheevr_' >> >> >> Its Intel Xeon Phi coprocessors based cluster and mkl is >> composer_xe_2013.1.117 with mpiifort and miicc >> >> >> Could you please tell me how to overcome below issue? >> >> Kind regards >> Bhamu >> > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > >
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