[Wien] SCF run problem

2012-03-28 Thread Jagdish Nehra
Thank you for suggestion sir As per your suggestion i tried to compile the lapw0 file, but that is showing some another problem in complie. I use the command cd /WIEN2K/SRC_lapw0 cat compile.msg then that is showing a message like as nehra at nehra-desktop:~/WIEN2k/SRC_lapw0$ cat compile.msg rm -f

[Wien] SCF run problem

2012-03-28 Thread Laurence Marks
The information is in what you sent, the line /usr/bin/ld: cannot find -lgoto. Your compilation options include the goto library for blas commands, but either you do not have this installed or you did not include information on where it is. For instance, if the file was in a directory

[Wien] SCF run problem

2012-03-28 Thread Laurence Marks
I sent an email about a broken link on the Goto page, and received the following back. Maybe someone should store copies of the libraries and/or try the alternatives. (It looks like what remains of Goto is only for older computers.) From: Robert van de Geijn r...@cs.utexas.edu Thank you. Goto

[Wien] SCF Run problem

2012-03-25 Thread Jagdish Nehra
?I am running wien2k_11version on a computer of type Intel(R) Core(TM) 2 Duo with operating system Ubuntu 10.04 LTS, gfortran compiler and GotoBlas2-1.13 After sucessful initialize calculation, the SCF calculation is not running, and that isshowing ?error like as hup: Command not found.

[Wien] SCF Run problem

2012-03-25 Thread Gavin Abo
hup: Command not found.- Message is not a problem, ignore this [1] /home/nehra/WIEN2k/lapw0: Command not found.- lapw0 may need compiled or recompiled, check for no errors (cat $WIENROOT/SRC_lapw0/compile.msg; cat case_folder_path/*.error) [2] [1]