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 was able to compile the WIEN2K without any error, for the first time (after struggling with it for a few weeks). Thanks you David for your kind help again. Hope that this would be helpful for new-comers - stay away from the ifort 12 if you are using Ubuntu 11. kind regards, Wen ------Original Message------ From:"Dr Qi Wen YAO"<YAO.Qiwen at nims.go.jp> To:"A Mailing list for WIEN2k users"<wien at zeus.theochem.tuwien.ac.at> Cc: Subject:[Wien] Compilling error - for latest Ubuntu, Ifort/MKL Date:01/07/2011 01:00:41 PM(+0900) >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(R) Fortran Compiler XE 12.0 Update 1 for Linux* > Intel(R) Debugger 12.0 Update 1 for Linux* > Intel(R) Math Kernel Library 10.3 Update 1 for Linux* OS > >A few minutes after the siteconfig_lapw run, I always have errors at the end >of the compiling the WIEN2K (the same for two machines I tested on - one is a >64 bit Dell Precision running 64bit Ubuntu 11.04: two cores Xeon cpu with 4GB >RAM, a dedicated machine for WIEN2K, the other machine is a more than 5 years >old IBM laptop, 32 bit, 1G RAM, P4, running 32bit Ubuntu 11.04 - the error >messages are the same for both machines as far as I can tell). > > >SRC_aim/compile.msg:make[1]: *** [aimc] Error 1 >SRC_aim/compile.msg:make: *** [complex] Error 2 >SRC_dipan/compile.msg:make: *** [dipan] Error 1 >SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1 >SRC_filtvec/compile.msg:make: *** [real] Error 2 >... the list goes on, for about 35 lines or so. >But all resorted to the same error by looking into different files of >compile.msg - it concluded to: > >ld: cannot find -lmkl_lapack > >I did this: >----------------- ># find / -name lapack >/home/wen/ABINIT/abinit-6.4.2/prereqs/linalg/lapack >/opt/intel/composerxe-2011.1.107/mkl/examples/lapack >/usr/lib/lapack >-------------------- > >In my .bashrc file, I have added all these (might be a bit more than I needed) >------------------------------------ >source /opt/intel/composerxe-2011.1.107/bin/compilervars.sh intel64 > >PATH=$PATH:/opt/intel/composerxe-2011.1.107/bin/ >PATH=$PATH:/opt/intel/composerxe-2011.1.107/lib/ >PATH=$PATH:/usr/lib/lapack/ >PATH=$PATH:/usr/lib64/lapack/ >PATH=$PATH:/opt/intel/composerxe-2011.1.107/mkl/ > >export PATH > >LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/lib/intel64/ >LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/mkl/lib/ia32/ > >export LD_LIBRARY_PATH >---------------------------------- > >I also did this: # find / -name mklvarsem64t -> no result found, the file >mklvarsem64t.sh/mklvarsem64t.csh is no where found, in both systems. > >I have got ifort 12.0.0 20101116 installed successfully without error >----------------------- ># ifort --version >ifort (IFORT) 12.0.0 20101116 >Copyright (C) 1985-2010 Intel Corporation. All rights reserved. >-------------------- > >MKL was inclusive in the ifort install for this version: >--------------------- ># find / -name mkl >/opt/intel/composerxe-2011/mkl >/opt/intel/mkl >/opt/intel/composerxe-2011.1.107/mkl >/opt/intel/composerxe-2011.1.107/Documentation/en_US/mkl >------------------------------ >Everything else that is needed for the compiler seems to be in place: >build-essential, gcc, g++, rpm. ia32-libs (installed from Synaptic), >libstdc++5 (both amd64 and i386 as instructed in the compiler installation >guild) > >The Intel(R) Composer XE 2011 Update 1 for Linux* was installed, which >includes: Intel(R) Math Kernel Library 10.3 Update 1 for Linux* > >It appears to me the mkl is not visible by the compiler, and I don not know >why the file mklvarsem64t(I suppose this file is not optional) is not in the >system. > >There are also some warning message about :no executable found in SRC_aim ... >etc (about 14 of them related to 14 different directories in the form of >SRC_name). > >What can I do from here? >Thank you in advance for your time. > >Kind regards, >Qiwen > >********************************************************** > >Dr QiWen YAO > >Crystal Science and Technology Group, > >Exploratory Materials Research Laboratory for ICT, > >National Institute for Materials Science > >1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan > >Phone: +81-29-851-3354, ext. no. 6482, Fax: +81-29-859-2501 > >********************************************************** > >_______________________________________________ >Wien mailing list >Wien at zeus.theochem.tuwien.ac.at >http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ********************************************************** Dr QiWen YAO Crystal Science and Technology Group, Exploratory Materials Research Laboratory for ICT, National Institute for Materials Science 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan Phone: +81-29-851-3354, ext. no. 6482, Fax: +81-29-859-2501 **********************************************************
