Hi, this should be due to your (old) ScaLAPACK version not having those routines included. You can try to add the switch " -Dold_scalapack " (no quoation marks) to your compiler options - that should compile lapw1_mpi with pdsyevx instead of the newer algorithm. However, at the moment there is no way to circumvent the pzheevr routine in lapwso.
All the best Thomas Ruh ________________________________________ Von: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> im Auftrag von cesar <ce...@unizar.es> Gesendet: Freitag, 23. Dezember 2016 15:47 An: wien@zeus.theochem.tuwien.ac.at Betreff: [Wien] mpi compilation problem Hi, I'm having a problem to get WIEN2k_16 installed. I can compile wien2k_14.2 perfectly but wien2k_16 is impossible (LIBXC and ELPA will not be included for now). The problem seems related with mpi versions for lapw1 and lapwso : seclr4.o: In function `seclr4_': seclr4_tmp_.F:(.text+0x981): undefined reference to `pdsyevr_' seclr4_tmp_.F:(.text+0x1330): undefined reference to `pdsyevr_' make[1]: *** [lapw1_mpi] Error 1 make[1]: Leaving directory `/home/wien2k/wien2k_16/SRC_lapw1' make: *** [rp] Error 2 hmsec.o: In function `hmsec_': hmsec.F:(.text+0x332c): undefined reference to `pzheevr_' hmsec.F:(.text+0x3aa5): undefined reference to `pzheevr_' make[1]: *** [lapwso_mpi] Error 1 make[1]: Leaving directory `/home/wien2k/wien2k_16/SRC_lapwso' make: *** [para] Error 2 I'm using the old : openmpi 1.6 and composerxe-2011.2.137. For now, I don't like so much to the idea of updating ... Are there any other way to get the wien2k 16 ? Thanks in advance. César _______________________________________________ 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 _______________________________________________ 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