[Wien] A basic problem about KGEN(shift k-mesh?)

2011-12-22 Thread W Hx
Dear users, In WIEN2k-FAQ: KGEN: Add inversion ? Shift k-mesh ? * shiftthe k-mesh ? (only for some lattice types) * Shifting of k-mesh means that it will add (x,x,x) to all generated k-points, thus shifting them from high symmetry points (lines) to more general points with

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-14 Thread W Hx
I changed the compiler to new version 11.1, and compiled WIEN2K_11 successfully. From: W Hx kingslay...@yahoo.com To: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Sent: Friday, December 9, 2011 10:59 PM Subject: Re: [Wien] WIEN2k_11 compilation problem(Cannot open include

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-09 Thread W Hx
else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Dec 9, 2011 1:21 AM, W Hx kingslaywhx at yahoo.com wrote: Dear Marks, I have tried and the following is the result. The result seems reasonable.? P.S.: I tried to compile WIN2K_08 version on the same computer, all

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-09 Thread W Hx
the file. If this does not work the only thing left is that you do not have permissions. 2011/12/9 W Hx kingslaywhx at yahoo.com: Dear Marks, I have tried and the following is the result. The result seems reasonable. P.S.: I tried to compile WIN2K_08 version on the same computer, all are normal

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-08 Thread W Hx
Dear users, I tried to compile WIEN2k_11 on my computer(Red Hat Enterprise 6.1), but the following error appears: W2kinit.F: COMPLEX version extracted ifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -c W2kinit_tmp_.F fortcom: Error: W2kinit_tmp_.F, line 28: Cannot open include

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-08 Thread W Hx
it with the attached in SRC_lapw[0-2], SRC_mixer and SRC_vecpratt. I think this should be safe, but please confirm that everything runs. Or...update your compiler (but check the many recent emails about which release of 12 to use). 2011/12/8 W Hx kingslaywhx at yahoo.com: Dear users, I tried

[Wien] WIEN2k_11 compilation problem(Cannot open include file 'mkl_vml.fi')

2011-12-08 Thread W Hx
in? /proc/3300/cwd ? This is a strange place to put it, and perhaps very dangerous as well as /proc is a system directory -- this might explain some things. A reasonable place is in /opt or /usr/local (assuming that you have root access). 2011/12/8 W Hx kingslaywhx at yahoo.com: Dear Marks, Thank