[Wien] Wien2k installation problem

shamik chakrabarti shamikphy at gmail.com
Thu Jul 16 21:13:34 CEST 2015 

Dear Gerhard,

                As I have not installed the Composer_xe_2015 version to our
server, I don't have any idea whether the installation of intel64 version
of ifort was restricted or not, However...I can do one thing: I can install
l_fcompxe_2013_sp1.1.106 to our home directory and link the path of ifort
and mkl accordingly. As I have installed wien2k with this compiler
previously & it contains the intel64 version of ifort, we may not face any
problem. At the moment, I think this could be the solution.

Dear Gavin,

          Thank you for your suggestions. Yes I will follow those links and
try to gain more knowledge of installing wien2k in PHI processor...

Thank you once again.

with regards,

On Thu, Jul 16, 2015 at 8:47 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Since you say that the "segmentation fault (core dumped)" error occurs
> during the running of ifort, you might also want to ask about the error in
> the Intel Fortran Compiler for Linux* and Mac OS X* forum [
> https://software.intel.com/en-us/forum ].  One of the Intel
> representatives might know if it could caused by the DPD200364057 Fortran
> Internal Compiler Error when compiling with -openmp or one of the other
> bugs listed or not listed in the 2015 Composer Edition Compilers Fixes List
> [
> https://software.intel.com/en-us/articles/intel-composer-xe-2015-compilers-fixes-list
> ].
>
>
> On 7/16/2015 8:50 AM, Fecher, Gerhard wrote:
>
>> Dear Shamik,
>> -  what main processor does your computer have ? (It cannot be XEON PHI
>> as this is a co-processor on some extra card)
>>
>> - if you compile for the XEON Phi, Wien2k  will most probably not work on
>> the main processor of your computer
>>    that is, if you compile it native for the PHI then you have to run it
>> on the PHI
>>    check the Intel manuals and the Intel link advisor for the PHI
>> off-load models and how to use the mic options.
>>
>> - the XEON PHIs are implemented since the 2013 versions (e.g.
>> parallel_studio_xe_2013) and those have also the emt64 versions
>>    of ifort (in /opt/intel/composer_xe_2013.5.192/bin/intel64), icc, mkl
>> (in /opt/intel/composer_xe_2013.5.192/mkl/lib/intel64) etc.
>>
>> - the composer_xe_2015_090 has both, intel_64 and intel64_mic for ifort
>> and icc (or did you restrict the installation somehow ?)
>>   (interesting I don't have a special mic directory for the mkl of
>> xe_2015, but may be I just didn't install it
>>    because the mic directory contains libraries only for native PHI
>> programs)
>>
>> Ciao
>> Gerhard
>>
>> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
>> "I think the problem, to be quite honest with you,
>> is that you have never actually known what the question is."
>>
>> ====================================
>> Dr. Gerhard H. Fecher
>> Institut of Inorganic and Analytical Chemistry
>> Johannes Gutenberg - University
>> 55099 Mainz
>> and
>> Max Planck Institute for Chemical Physics of Solids
>> 01187 Dresden
>> ________________________________________
>> Von: wien-bounces at zeus.theochem.tuwien.ac.at [
>> wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von shamik
>> chakrabarti [shamikphy at gmail.com]
>> Gesendet: Donnerstag, 16. Juli 2015 14:42
>> An: A Mailing list for WIEN2k users
>> Betreff: Re: [Wien] Wien2k installation problem
>>
>> Dear Gerhard & Gavin,
>>
>>                 The compiler ifort is available only in mic directory for
>> composer_xe_2015.0.090, and that's why we have also set the path of mkl to
>> mic as otherwise we are getting an error of not finding mkl libs by
>> X86_64-K1om-linux-ld:
>>
>> However, after setting the path of mkl to mic, there were no such error
>> appeared except,
>>
>> segmentation fault (core dumped).
>>
>> This error is again appeared due to ifort (& not by gcc)
>>
>> The appearance of error is independent of whether we have set $(FOPT) or
>> not to Linker Flags.
>>
>> All the -pthread are converted to -lpthread in the OPTION
>>
>> However, the error  segmentation fault (core dumped) is still appearing
>> after compiling & this is the only one error we are left with.
>>
>> Do you think that if we use some older version of compiler in which
>> "ifort" is available in intel64...then the problem may be solved?...
>>
>> However, I have no idea that whether the older version of compiler is
>> compatible with "XEON PHI" processor?
>>
>> Looking forward to your suggestion in this regard.
>>
>> with regards,
>>
>>
>> On Wed, Jul 15, 2015 at 8:49 PM, Gavin Abo <gsabo at crimson.ua.edu<mailto:
>> gsabo at crimson.ua.edu>> wrote:
>> Dear Gerhard and Shamik,
>>
>> Ok, sorry, I did not think too much into it.
>>
>> In siteconfig,
>>
>> 1) selected "S   specify a system" and "I    Linux (Intel ifort compiler
>> (12.0 and later) + mkl )"
>> 2) selected "O   specify compiler options, BLAS and LAPACK", and it gave:
>>
>> Recommended options for system linuxifc are:
>>       Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
>> -DINTEL_VML -traceback -assume buffered_io
>>       Linker Flags:            $(FOPT)
>> -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
>>       Preprocessor flags:      '-DParallel'
>>       R_LIB (LAPACK+BLAS):     -lmkl_lapack95_lp64 -lmkl_intel_lp64
>> -lmkl_intel_thread -lmkl_core -openmp -lpthread
>>
>> I knew that these recommended 64 bit settings have worked fine for me on
>> different Linux operating systems.  Until you mentioned it, I did not know
>> that -pthread could be safely dropped from the Linker Flags.
>>
>> Thanks,
>>
>> Gavin
>>
>>
>> why -pthread instead of -lpthread ? The threading library is libpthread
>> and should be linked with -lpthread !
>> I remembre that I made some ten years ago the remark on that: On SUSE
>> systems (at thae time it was 9.2 and older) one can have a very comfortable
>> setup of the linker
>> such that it finds the standart libraries by itself. You can check it if
>> you remove the -pthread switch from the linker line and find that Wien2k is
>> still linked correctly.
>> If not then you may use ldconfig to make your linker environment more
>> comfortable.
>>
>>
>> Below I do not understand why the linker should need the compiler options
>> (LDFLAGS:$(FOPT)) ??
>>
>> _______________________________________________
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>>
>>
>>
>>
>> --
>> Shamik Chakrabarti
>> Senior Research Fellow
>> Dept. of Physics & Meteorology
>> Material Processing & Solid State Ionics Lab
>> IIT Kharagpur
>> Kharagpur 721302
>> INDIA
>>
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-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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