Re: [Wien] w2w compilation problem during siteconfig

2016-12-23 Thread Elias Assmann
On 12/22/2016 10:45 PM, Fecher, Gerhard wrote: > Personally I like more to tell make which files I like to have compiled > instead of using an automatic > search and the makefile decides which ones I like to have compiled, > but maybe I am just a little bit too old fashioned. Well, the rule I

[Wien] mpi compilation problem

2016-12-23 Thread cesar
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_':

Re: [Wien] mpi compilation problem

2016-12-23 Thread Ruh Thomas
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