Re: [Wien] compiling error in lapw2

2018-04-17 Thread Dr. K. C. Bhamu
Thanks Gavin and Prof. Peter, Mistakenly I deleted the Makefile.org. A fresh recompilation with patches solved the problem. Regards Bhamu On Tue, Apr 17, 2018 at 5:18 PM, Gavin Abo wrote: > You may want to extract the original WIEN2k 17.1 l2main.F file from >

Re: [Wien] compiling error in lapw2

2018-04-17 Thread Gavin Abo
You may want to extract the original WIEN2k 17.1 l2main.F file from SRC_lapw2 of WIEN2k_17.1.tar. Apply l2main.patch to it.  If you do that, the addtinv.f and timeinv1.f files have to be added to SRC_lapw2 and lapw2Makefile.orig.patch must be applied as well. If you go to:

[Wien] compiling error in lapw2

2018-04-17 Thread Dr. K. C. Bhamu
Dear Prof. Peter, I tried to compile the recent version of Wien2k with parallel versions of ifort and icc of mkl version 2015, fftw-3.3.4. on SGE server. I faced some different compilation error then I used the subroutines and l2main.F module provided by you at here;