[Wien] Compilling error - for latest Ubuntu, Ifort/MKL

Hi Everyone, Problem solved - it is just the issue for the latest version of the Ifort 12 - ifort12 is apparently not working well with the latest WIEN2K 10.1 in Ubuntu 11.04 (both 32bit or 64bit) - well, at least not for me. So with David Guzman? kind suggestion I tried the Ifort 11.1, and I w

[Wien] about x lapw1 -nmat_only (3)

I can't believe that you cannot find out where the results are for 3 days. UG: Search for nmat and you will find case.nmat_only cat lapw1.defand you can see the files read/written by lapw1. Then "guess the proper file" ls -alsrt this lists all files according to their creation tim

[Wien] Compilling error - for latest Ubuntu, Ifort/MKL

Dear Professor Blaha and everyone, I hope this does not waste too much of your time but I need helps for compiling my latest WIEN2K (which I bought a month back for my group in NIMS, Japan). I am new to WIEN2K. These are the packages I have installed prior to the WIEN2K installation: Intel

[Wien] error lapw0

Dear Vandao, Perhaps the command in bash shell ulimit -s unlimited before starting run_lapw could help. In case you use c-shell you write limit stacksize unlimited Tomas Dear Wien2k users, I'm having trouble calculating multilayer is happening beneath the error. help. Calculating fe4n

[Wien] about x lapw1 -nmat_only (3)

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[Wien] error lapw2

Dear users After solving the problem in the following problem arose LAPW0 in LAPW2. Calculating test in /home/vandao/meus/test on Fisica-Host-Wien2k with PID 27321 start (Thu Jan 6 14:33:48 BRST 2011) with lapw0 (40/99 to go) cycle 1 (Thu Jan 6 14:33:48 BRST 2011)