[Wien] installation problem in parallel mode_Wien2k_13.1

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Feb 17 21:25:47 CET 2014


Why are you not using the "default" options ?

> RP  RP_LIB(SCALAPACK+PBLAS): -mt_mpi -lmkl_scalapack_lp64 -lmkl_blacs_lp64 $(R_LIBS)

I've never seen:   -mt_mpi    and would remove this.

-lmkl_blacs_lp64 :   this library needs to be adapted to your specific mpi version.
                      there are 3 or 4 different versions for this library and you must use
                      the one which fits your mpi.
                      For instance with intel-mpi one must use -lmkl_blacs_intel_lp64, ...
                      Look into the doku or ask your sysadmin.


-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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