Re: [Wien] Error while running the command ./siteconfig_lapw during installation of WIEN2k code

2018-01-22 Thread Sourav Dey
Dear MrGavin Abo, Thank you for your suggestions. As per your guidelines, I have set the LC_NUMERIC=en_US.UTF-8 in the locale settings. If I type locale from terminal now, it shows the following. LANG=en_US.UTF-8 LANGUAGE=en_US.UTF-8 LC_CTYPE="en_US.UTF-8" LC_NUMERIC=en_US.UTF-8

Re: [Wien] Error after compilation

2018-01-22 Thread Gavin Abo
The ilp64 in your R_LIBS cannot be used for WIEN2k, you must use lp64 [ https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08707.html ]. For composer 2017, you might also need "-assume nobuffered_io" in the O line [

[Wien] Error after compilation

2018-01-22 Thread mostefa djermouni
Dear Peter BLAHA and Wien2k users, I have Linux Debian 9 architecture with ifort: composer 2017 and i7 7700 possessor. I did my compilation  without error message, After calculation of GaAs example I get this error:  LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: