Sorry, in siteconfig, add to the end of your Compiler options:
-I/opt/intel/composer_xe_2013.0.079/mkl/include
-
I found in at least one module that mkl_vml.fi is needed earlier in the
compile stage:
Thank sir, i have copied the two file mkl_vml.fi and mkl_vml.f90 in the
directories lapw0, lapw1, lapw2, hf, mixer, and vecpratt, and the probleme is
resolved.Thank you for your help.
BOUTAIBA FaroukDepartement of PhysicsFaculty of ScienceUniversity of Science
and Technology of
Hello,
This is document in the FAC on wien2k website.
Two possibilities:
1- Either your mkl libraries do not have this file and you have to follow the
recommandation in the FAC;
2- Or, for some reason this file exists (search it in mkl directories) but is
not found when you build wien2k. This
I do not think that there is a mistake in the flags. See what I have in the
OPTIONS file:
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io
Good, that means that the file mkl_vml.fi exists and can be opened.
However, I don't know why you still have the error that it cannot open
the file, when it can be opened.
The only things I can currently think of that could cause that are:
a) When you added the -I line in siteconfig to the
I have used wien2k 2014, but diring compilation a got these message:compilation
aborted for W2kinit_tmp.F (code 1)
make[1]: *** [W2kinit.o] Erreur 1
make[1] : on quitte le répertoire « /root/wien2k_14/SRC_vecpratt »
make: *** [real] Erreur 2
and after compilation i have this message:Compile
Have you tried adding -I/opt/intel/composer_xe_2013.0.079/mkl/include
after $(FOPT) in the Linker Flags?
Also, see the post at the link:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10594.html
On 3/25/2015 7:43 AM, farouk boutaiba wrote:
I have used wien2k 2014, but
I have change -L to -I as you told me
-I/opt/intel/composer_xe_2013.0.079/mkl/include after $(FOPT) in the Linker
Flags, but after compilation i have the same message error.thank you sir
BOUTAIBA Farouk
Department of Physics
Faculty of Science
University of Science and Technology of Oran
In the same terminal that you use to run siteconfig, what do you get as
output when you enter:
head -n 1 /opt/intel/composer_xe_2013.0.079/mkl/include/mkl_vml.fi
On 3/25/2015 12:01 PM, farouk boutaiba wrote:
I have change -L to -Ias you told me
-I/opt/intel/composer_xe_2013.0.079/mkl/include
Dear membersAfter compilation of wien2k2010, i tried to run SCF cycle with
binary GaAs compound. But itdoesn't work. I got the following this error:
*** Error in`/root/wien2k/lapw1c': free(): corrupted unsorted chunks:
0x00b2a280***
*** Error in `/root/wien2k/lapw1c': malloc():
This might be due to the blocksize bug. The blocksize bug can be fixed
by using the current 2014 version of WIEN2k, which is 14.2.
On 3/24/2015 7:39 AM, farouk boutaiba wrote:
Dear members
After compilation of wien2k 2010, i tried to run SCF cycle with
binary GaAs compound. But it doesn't
Thank you sir for your helpBOUTAIBA Farouk
Department of Physics
Faculty of Science
University of Science andTechnology of Oran
P.O.Box: 1505 El M'Naouer
31000 Oran
Algeria
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