[Wien] Wien2k installation problem

[Fecher, Gerhard]

Hi 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.


Hi Shamik

Below I do not understand why the linker should need the compiler options (LDFLAGS:$(FOPT)) ??

The path to the mkl libraries looks also not standard it seems to point on the PHI libraries, 
I think you should first start with a regular setup and try afterwards to make a XEON PHI version running 
 (How many PHI's are you using in your system ? I am interested whether the PHI's make sense for Wien)

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 Gavin Abo [gsabo at crimson.ua.edu]
Gesendet: Mittwoch, 15. Juli 2015 00:50
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Wien2k installation problem

You need to narrow down the cause of the "segmentation fault (core dumped)" error.  Perhaps, in a compile.msg file, it shows what program caused the segmenation fault (ifort, gcc or icc)?

If you check siteconfig's recommendation, -lpthread in LDFLAGS should be changed to -pthread.

As you can see on the website at:

http://wiki.rac.manchester.ac.uk/community/XeonPhi/GettingStarted/Compilation

It looks like you might want to compile for just the HOST processor by adding -no-offload to your FOPT options before attempting to compile with the Xeon Phi coprocessors.

On 7/14/2015 12:02 PM, shamik chakrabarti wrote:
Dear Gavin and wien2k users,

                 Sorry for the late reply to the above mail...we are trying to resolve the issues regarding the installation failure and were able to remove most of the errors after installing MSSP, as Gavin has suggested. However, we are still getting an error regarding segmentation fault, and were unable to solve this problem even after going through the mailing list and searching the net regarding this...The error appeared as below;

segmentation fault (core dumped)........Error 2

We are trying to install wien2k in a server with Red Hat Linux. The compiler used for the installation is composer_xe_2015.0.090.

I am giving the settings of OPTION below

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -traceback -assume buffered_io
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/opt/intel/mkl/lib/mic -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread

We are eagerly awaiting fruitful responses.

Thanks in advance.

with regards,


On Tue, Jul 7, 2015 at 11:31 PM, Gavin Abo <gsabo at crimson.ua.edu<mailto:gsabo at crimson.ua.edu>> wrote:
X86_64-K1om-linux-ld => I think this is a linker for Intel Xeon Phi coprocessors.  As the error message says, it cannot find the X86_64-K1om-linux-ld file.  I guess that you have to install a redhat package (I would expect that redhat support [ https://access.redhat.com/support/ ] would be able to tell what package needs installed ) or Intel's Manycore Platform Software Stack (MSSP) [ https://software.intel.com/en-us/articles/intel-manycore-platform-software-stack-mpss ] to get the file.

I don't see anything noticeable wrong with your compile settings, but it should be better to use the recommended siteconfig settings as there are differences.  For example, you don't have -assume buffered_io (or -assu buff), which can be faster [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05711.html ] and prevent NFS problems [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg03171.html ].

Maybe, the segmentation fault is related to Xeon Phi coprocessors, but I don't have experience using a Xeon Phi coprocessor.


On 7/7/2015 4:26 AM, shamik chakrabarti wrote:
Dear wien2k users,

    We are trying to install wien2k in a server with Red Hat Linux. The compiler used for the installation is composer_xe_2015.0.090

Two errors were appeared during installation as being seen from compiler.msg

1) X86_64-K1om-linux-ld: No such file or directory......Error 100

2) segmentation fault (core dumped)........Error 2

I am giving the settings of OPTION below

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -traceback
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread

Any response in this regard will be helpful for us.

Thanks in advance.

with regards,

--
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